N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide

C27H30N4O3 — CID 42277870

IUPACN-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H30N4O3/c1-20(2)31-18-23(26(33)28-17-21-9-5-3-6-10-21)25(32)24(19-31)27(34)30-15-13-29(14-16-30)22-11-7-4-8-12-22/h3-12,18-20H,13-17H2,1-2H3,(H,28,33)
InChIKeyHDPGQZJYLKYXNH-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.32
Rot. Bonds6

About N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide

N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 42277870) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
PubChem CID42277870
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H30N4O3/c1-20(2)31-18-23(26(33)28-17-21-9-5-3-6-10-21)25(32)24(19-31)27(34)30-15-13-29(14-16-30)22-11-7-4-8-12-22/h3-12,18-20H,13-17H2,1-2H3,(H,28,33)
InChIKeyHDPGQZJYLKYXNH-UHFFFAOYSA-N
XLogP3.32
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42169511
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperidine-1-carbonyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 118756138
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45195904
N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45227098
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
1-benzyl-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110953222
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 59768410
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35688690

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide (CID 42277870) is N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is HDPGQZJYLKYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20(2)31-18-23(26(33)28-17-21-9-5-3-6-10-21)25(32)24(19-31)27(34)30-15-13-29(14-16-30)22-11-7-4-8-12-22/h3-12,18-20H,13-17H2,1-2H3,(H,28,33).
What are the key properties of N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42277870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).