N-(piperidin-1-ylmethyl)-3-[2-(pyridin-3-yl)piperidin-1-yl]propanamide

• ChemBase ID: 190053
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(C(c2cnccc2)CCCC1)CCC(=O)NCN1CCCCC1
• Canonical SMILES: O=C(NCN1CCCCC1)CCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C19H30N4O/c24-19(21-16-22-11-3-1-4-12-22)9-14-23-13-5-2-8-18(23)17-7-6-10-20-15-17/h6-7,10,15,18H,1-5,8-9,11-14,16H2,(H,21,24)
• InChIKey: QWRXNRWLIDVDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-1-ylmethyl)-3-[2-(pyridin-3-yl)piperidin-1-yl]propanamide
• IUPAC Traditional name: N-(piperidin-1-ylmethyl)-3-[2-(pyridin-3-yl)piperidin-1-yl]propanamide

Database IDs

• PubChem SID: 164245963
• PubChem CID: 600298

CALCULATED PROPERTIES

• Acid pKa: 13.756714
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6946642
• LogD (pH = 7.4): 0.20588766
• Log P: 1.7179445
• Molar Refractivity: 96.7295 cm^3
• Polarizability: 38.01516 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds