1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide

C24H29N3O3 — CID 46384551

IUPAC1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-17(2)16-25-22(28)19-12-14-27(15-13-19)24(30)20-8-10-21(11-9-20)26-23(29)18-6-4-3-5-7-18/h3-11,17,19H,12-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVDVYEGFWTXOXOF-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide

1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 46384551) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID46384551
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-17(2)16-25-22(28)19-12-14-27(15-13-19)24(30)20-8-10-21(11-9-20)26-23(29)18-6-4-3-5-7-18/h3-11,17,19H,12-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVDVYEGFWTXOXOF-UHFFFAOYSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112838505
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 110301812
1-benzoyl-N-(2-cyclopentyl-2-hydroxyethyl)piperidine-4-carboxamide
CID 71991151
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 46384551) is 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is VDVYEGFWTXOXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)16-25-22(28)19-12-14-27(15-13-19)24(30)20-8-10-21(11-9-20)26-23(29)18-6-4-3-5-7-18/h3-11,17,19H,12-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46384551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).