N,N-dimethyl-4-(4-{[3-(1H-pyrazol-1-yl)propyl]amino}piperidin-1-yl)benzamide

• ChemBase ID: 855761
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: C(=O)(c1ccc(N2CCC(CC2)NCCCn2nccc2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)N1CCC(CC1)NCCCn1cccn1)C
• InChI: InChI=1S/C20H29N5O/c1-23(2)20(26)17-5-7-19(8-6-17)24-15-9-18(10-16-24)21-11-3-13-25-14-4-12-22-25/h4-8,12,14,18,21H,3,9-11,13,15-16H2,1-2H3
• InChIKey: ZWRQXOFLJVGREB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(4-{[3-(1H-pyrazol-1-yl)propyl]amino}piperidin-1-yl)benzamide
• IUPAC Traditional name: N,N-dimethyl-4-(4-{[3-(pyrazol-1-yl)propyl]amino}piperidin-1-yl)benzamide
• Synonyms: N,N-dimethyl-4-(4-{[3-(1H-pyrazol-1-yl)propyl]amino}-1-piperidinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9209031
• LogD (pH = 7.4): -1.5009378
• Log P: 1.312581
• Molar Refractivity: 117.3726 cm^3
• Polarizability: 39.833008 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.1
• LOG S: -4.12
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 7