1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(trimethyl-1H-pyrazol-4-yl)propan-1-one

• ChemBase ID: 825611
• Molecular Formular: C18H29N5O3
• Molecular Mass: 363.45456
• Monoisotopic Mass: 363.22703981
• SMILES: n1n(c(c(c1C)CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1)C)C
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)N1CCOCC1)CCc1c(C)nn(c1C)C
• InChI: InChI=1S/C18H29N5O3/c1-14-16(15(2)20(3)19-14)4-5-17(24)21-6-8-22(9-7-21)18(25)23-10-12-26-13-11-23/h4-13H2,1-3H3
• InChIKey: NZBOIHWCJVCEDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(trimethyl-1H-pyrazol-4-yl)propan-1-one
• IUPAC Traditional name: 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(trimethylpyrazol-4-yl)propan-1-one
• Synonyms: 4-({4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-1-piperazinyl}carbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5784364
• LogD (pH = 7.4): -0.57594794
• Log P: -0.5759161
• Molar Refractivity: 110.0927 cm^3
• Polarizability: 37.368233 Å^3
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.04
• LOG S: -3.19
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 3