1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide

C30H32FN3O3 — CID 22580555

IUPAC1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C30H32FN3O3/c1-22-8-12-26(13-9-22)28(36)34(21-25-10-14-27(31)15-11-25)30(16-18-33(19-17-30)23(2)35)29(37)32-20-24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3,(H,32,37)
InChIKeyJIMHKHZKHXLKAR-UHFFFAOYSA-N
MW501.60 g/mol
LogP4.47
Rot. Bonds7

About 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide

1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide (PubChem CID 22580555) has the molecular formula C30H32FN3O3 and a molecular weight of 501.60 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
PubChem CID22580555
Molecular FormulaC30H32FN3O3
Molecular Weight501.60 g/mol
Exact Mass501.24
IUPAC Name1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C30H32FN3O3/c1-22-8-12-26(13-9-22)28(36)34(21-25-10-14-27(31)15-11-25)30(16-18-33(19-17-30)23(2)35)29(37)32-20-24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3,(H,32,37)
InChIKeyJIMHKHZKHXLKAR-UHFFFAOYSA-N
XLogP4.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-benzyl-4-[(3-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
CID 46356893
1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide
CID 46356908
1-acetyl-N-benzyl-4-[2-(cyclohexen-1-yl)ethyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
CID 46356879
1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide
CID 46356914
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
tert-butyl N-[(2S)-1-[[1-benzyl-4-(benzylcarbamoyl)piperidin-4-yl]-[(4-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 162655389
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
tert-butyl N-[(2S)-4-amino-1-[[1-benzyl-4-(benzylcarbamoyl)piperidin-4-yl]-[(4-fluorophenyl)methyl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 162653172
(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148505
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide (CID 22580555) is 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide?
The InChIKey is JIMHKHZKHXLKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O3/c1-22-8-12-26(13-9-22)28(36)34(21-25-10-14-27(31)15-11-25)30(16-18-33(19-17-30)23(2)35)29(37)32-20-24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3,(H,32,37).
What are the key properties of 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide?
1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide has a molecular weight of 501.60 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 22580555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).