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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).