1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea
PubChem CID: 44240743
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| Compound Synonyms | 1204607-09-9, 1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea, CHEMBL1083787, Urea, N-[6-(4-fluorophenyl)-3-pyridinyl]-N'-[4-(1-piperidinyl)butyl]-, Urea, N-[6-(4-fluorophenyl)-3-pyridinyl]-N/'-[4-(1-piperidinyl)butyl]-, LMGUUVWYFJIKCD-UHFFFAOYSA-N, SCHEMBL1459745, BDBM50319673, N-[6-(4-fluorophenyl)-3-pyridinyl]-N'-[4-(1-piperidinyl)butyl]-Urea, 1-(6-(4-fluorophenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea, 1-[6-(4-Fluoro-phenyl)-pyridin-3-yl]-3-(4-piperidin-1-yl-butyl) urea |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C(CCCC1CCCCC1)CCCC1CCC(C2CCCCC2)CC1 |
| Deep Smiles | Fcccccc6))cccccn6))NC=NCCCCNCCCCC6)))))))))))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCC(NCNCCCCN3CCCCC3)CN2)CC1 |
| Classyfire Subclass | Phenylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[6-(4-fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H27FN4O |
| Scaffold Graph Node Bond Level | C(=NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2)nc1 |
| Inchi Key | LMGUUVWYFJIKCD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | kamalin i |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cF, cNC(O)=NC, cnc |
| Compound Name | 1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea |
| Exact Mass | 370.217 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.217 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 370.5 |
| 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/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27) |
| Smiles | C1CCN(CC1)CCCCNC(=O)NC2=CN=C(C=C2)C3=CC=C(C=C3)F |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Mallotus Philippensis (Plant) Rel Props:Reference:ISBN:9788171360536