N-cyclopropyl-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide

• ChemBase ID: 352803
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: c1(c[nH]c2c1cccc2)CN1CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H27N3O/c24-20(22-17-8-9-17)10-7-15-4-3-11-23(13-15)14-16-12-21-19-6-2-1-5-18(16)19/h1-2,5-6,12,15,17,21H,3-4,7-11,13-14H2,(H,22,24)
• InChIKey: CWQHCINOBKSFQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
• Synonyms: N-cyclopropyl-3-[1-(1H-indol-3-ylmethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.667269
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.692486
• LogD (pH = 7.4): 0.6292935
• Log P: 2.6799371
• Molar Refractivity: 97.0983 cm^3
• Polarizability: 38.94412 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.26
• LOG S: -3.66
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6