N-cyclopentylpiperidine-4-carboxamide

• ChemBase ID: 115818
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: C(=O)(NC1CCCC1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)NC1CCCC1
• InChI: InChI=1S/C11H20N2O/c14-11(9-5-7-12-8-6-9)13-10-3-1-2-4-10/h9-10,12H,1-8H2,(H,13,14)
• InChIKey: ZXWVWQFBCSZTHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentylpiperidine-4-carboxamide
• IUPAC Traditional name: N-cyclopentylpiperidine-4-carboxamide
• Synonyms: N-cyclopentylpiperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562552
• PubChem SID: 162101382
• PubChem CID: 17604582

CALCULATED PROPERTIES

• Acid pKa: 16.052364
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5743074
• LogD (pH = 7.4): -1.9898764
• Log P: 0.6516675
• Molar Refractivity: 56.2074 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.04

Product Information

• Purity: 95+%
• Salt Data: HCl