1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide

C23H27N3O3 — CID 46384509

IUPAC1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-16(2)24-21(27)18-12-14-26(15-13-18)23(29)19-8-10-20(11-9-19)25-22(28)17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDZXFSLGSCWDOGT-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 46384509) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID46384509
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-16(2)24-21(27)18-12-14-26(15-13-18)23(29)19-8-10-20(11-9-19)25-22(28)17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDZXFSLGSCWDOGT-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 20973047
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 46384509) is 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DZXFSLGSCWDOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(2)24-21(27)18-12-14-26(15-13-18)23(29)19-8-10-20(11-9-19)25-22(28)17-6-4-3-5-7-17/h3-11,16,18H,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).