N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide

C34H38N4O4 — CID 44825625

IUPACN-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCCN(C(=O)C4CCC4)C3)cc2)cc1
InChIInChI=1S/C34H38N4O4/c1-37(22-25-7-3-2-4-8-25)33(41)27-14-18-29(19-15-27)35-31(39)21-24-12-16-30(17-13-24)36-32(40)28-11-6-20-38(23-28)34(42)26-9-5-10-26/h2-4,7-8,12-19,26,28H,5-6,9-11,20-23H2,1H3,(H,35,39)(H,36,40)
InChIKeyQNGNNXUMBXHLMF-UHFFFAOYSA-N
MW566.70 g/mol
LogP5.12
Rot. Bonds9

About N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide

N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide (PubChem CID 44825625) has the molecular formula C34H38N4O4 and a molecular weight of 566.70 g/mol. Its IUPAC name is N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide
PubChem CID44825625
Molecular FormulaC34H38N4O4
Molecular Weight566.70 g/mol
Exact Mass566.29
IUPAC NameN-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCCN(C(=O)C4CCC4)C3)cc2)cc1
InChIInChI=1S/C34H38N4O4/c1-37(22-25-7-3-2-4-8-25)33(41)27-14-18-29(19-15-27)35-31(39)21-24-12-16-30(17-13-24)36-32(40)28-11-6-20-38(23-28)34(42)26-9-5-10-26/h2-4,7-8,12-19,26,28H,5-6,9-11,20-23H2,1H3,(H,35,39)(H,36,40)
InChIKeyQNGNNXUMBXHLMF-UHFFFAOYSA-N
XLogP5.12
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 44825559
1-(cyclopentanecarbonyl)-N-[4-[2-[4-[methyl(2-phenylethyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825536
1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 131914801
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
1-(cyclopropanecarbonyl)-N-[3-[2-[3-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 44825584
1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825633
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide (CID 44825625) is N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCCN(C(=O)C4CCC4)C3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide?
The InChIKey is QNGNNXUMBXHLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O4/c1-37(22-25-7-3-2-4-8-25)33(41)27-14-18-29(19-15-27)35-31(39)21-24-12-16-30(17-13-24)36-32(40)28-11-6-20-38(23-28)34(42)26-9-5-10-26/h2-4,7-8,12-19,26,28H,5-6,9-11,20-23H2,1H3,(H,35,39)(H,36,40).
What are the key properties of N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide?
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide has a molecular weight of 566.70 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 44825625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).