2-Piperidone
PubChem CID: 12665
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| Compound Synonyms | 2-Piperidone, piperidin-2-one, 675-20-7, DELTA-VALEROLACTAM, 2-Piperidinone, Valerolactim, 5-Pentanolactam, Piperidone, Piperidinone, Valerolactam, Piperidon, alpha-Piperidone, Piperidone-2, PIPERIDONE,2-, .alpha.-Piperidone, 2-oxopiperidine, 2-Azacyclohexanone, Piperidon [German], Pentanoic acid, 5-amino-, lactam, .delta.-Valerolactam, 2-oxo-piperidine, NSC 2305, NSC 18894, WLN0GQQ6EK, MFCD00006037, CHEMBL12193, 27154-43-4, CHEBI:77761, NSC-2305, NSC18894, Piperidon (german), NSC-18894, Pentanoic acid, lactam, WLN: T6NVTJ, Piperidones, Piperidone-2 [French], d-Valerolactam, UNII-WLN0GQQ6EK, EINECS 211-622-9, 75-20-7, ketopiperidine, oxopiperidine, 5-pentanelactam, 2-piperadinone, A-Piperidone, AI3-33342, d-Valero-lactam, piperadine-2-one, piperidine-2-one, delta -Valerolactam, V1L, 5-amino-lactam-Pentanoate, delta-Valerolactam, 98%, BDBM10, 5-amino-lactam-Pentanoic acid, piperidin-2-one, 2-Piperidone, DTXSID1060976, NSC2305, BCP00878, Piperidin-2-one, delta-Valerolactam, BBL027557, STL281850, AKOS005206867, CS-W022933, FP09656, HY-W042193, SB41073, AC-15619, AC-33837, NCI60_001574, SY011119, DB-031244, A9047, NS00015672, P0455, EN300-24025, F10312, Q4596918, F0001-1780, Z168817684, InChI=1/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7, 25036-00-4 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | 2-Piperidinone is a derivative of piperidine which is an organic compound. Piperidine is a colorless fuming liquid with an odor described as ammoniacal, pepper-like, the name comes from the genus name Piper, which is the Latin word for pepper. Piperidine is a widely used building block and chemical reagent in the synthesis of organic compounds, including pharmaceuticals.The piperidine structural motif is present in numerous natural alkaloids. These include piperine, which gives black pepper the hot taste. This gave the compound its name. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00328, Q9ES14, Q13451 |
| Iupac Name | piperidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C5H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUWHAWMETYGRKB-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.633 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -0.16 |
| Synonyms | 2-oxo-Piperidine, 2-Oxopiperidine, 2-piperidinone, 2-Piperidone, 5-amino-lactam-Pentanoate, 5-amino-lactam-Pentanoic acid, 5-Pentanolactam, a-piperidone, alpha-piperidone, delta-valerolactam, Piperidinone, Piperidon, Piperidon (german), Piperidone, Piperidone-2, Valerolactim, α-piperidone, δ-valerolactam |
| Compound Name | 2-Piperidone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 99.0684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 99.0684 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 99.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5302245999999998 |
| Inchi | InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7) |
| Smiles | C1CCNC(=O)C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Boonei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all