N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(2-methyl-1H-imidazol-1-yl)-N-[2-(piperidin-1-yl)ethyl]propanamide

• ChemBase ID: 496854
• Molecular Formular: C25H43N5O
• Molecular Mass: 429.64182
• Monoisotopic Mass: 429.34676102
• SMILES: n1(c(ncc1)C)CCC(=O)N(CC1CN(C2CCCC2)CCC1)CCN1CCCCC1
• Canonical SMILES: O=C(N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1)CCn1ccnc1C
• InChI: InChI=1S/C25H43N5O/c1-22-26-12-17-28(22)16-11-25(31)30(19-18-27-13-5-2-6-14-27)21-23-8-7-15-29(20-23)24-9-3-4-10-24/h12,17,23-24H,2-11,13-16,18-21H2,1H3
• InChIKey: BCKHOOZSWUMLOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(2-methyl-1H-imidazol-1-yl)-N-[2-(piperidin-1-yl)ethyl]propanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(2-methylimidazol-1-yl)-N-[2-(piperidin-1-yl)ethyl]propanamide
• Synonyms: N-[(1-cyclopentyl-3-piperidinyl)methyl]-3-(2-methyl-1H-imidazol-1-yl)-N-[2-(1-piperidinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.9411535
• LogD (pH = 7.4): -1.349585
• Log P: 2.3095982
• Molar Refractivity: 127.4944 cm^3
• Polarizability: 49.658382 Å^3
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.56
• LOG S: -3.16
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 9