1-Acetylpiperidine
PubChem CID: 12058
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| Compound Synonyms | 1-ACETYLPIPERIDINE, 618-42-8, 1-(Piperidin-1-yl)ethanone, N-Acetylpiperidine, Piperidine, 1-acetyl-, N-Acetylpiperidin, 1-(piperidin-1-yl)ethan-1-one, Acetic acid, piperidide, N-Acetyl piperidine, Methyl 1-piperidyl ketone, Ethanone, 1-(1-piperidinyl)-, 1-piperidin-1-ylethanone, 1-Piperidin-1-yl-ethanone, NSC 239, 1-(1-piperidinyl)ethanone, EINECS 210-550-5, BRN 0109570, CHEBI:36591, AI3-11533, MFCD00006486, 6YC8YEW5QR, DTXSID7060679, NSC-239, 5-20-02-00440 (Beilstein Handbook Reference), N-Acetylpiperidin [German], UNII-6YC8YEW5QR, 1-(1-piperidyl)ethanone, SCHEMBL8053, CHEMBL12196, NSC239, DTXCID5043130, AKOS003846742, AC-2947, AS-58709, SY106654, DB-054003, A0109, CS-0155037, NS00034811, S12042, Q27116893, F0808-1080 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | CC=O)NCCCCC6 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | N-acylpiperidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-piperidin-1-ylethanone |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H13NO |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | KDISMIMTGUMORD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-acetylpiperidine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)N(C)C |
| Compound Name | 1-Acetylpiperidine |
| Exact Mass | 127.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 127.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3 |
| Smiles | CC(=O)N1CCCCC1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369