1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide

C22H25N3O3 — CID 55645237

IUPAC1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C22H25N3O3/c1-14-7-8-17(13-15(14)2)21(27)24-19-6-4-3-5-18(19)22(28)25-11-9-16(10-12-25)20(23)26/h3-8,13,16H,9-12H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyCYDQPNWPDUAOLU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide

1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide (PubChem CID 55645237) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
PubChem CID55645237
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C22H25N3O3/c1-14-7-8-17(13-15(14)2)21(27)24-19-6-4-3-5-18(19)22(28)25-11-9-16(10-12-25)20(23)26/h3-8,13,16H,9-12H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyCYDQPNWPDUAOLU-UHFFFAOYSA-N
XLogP2.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55932978
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699
1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55642415

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide (CID 55645237) is 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C.
What is the InChIKey of 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is CYDQPNWPDUAOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-7-8-17(13-15(14)2)21(27)24-19-6-4-3-5-18(19)22(28)25-11-9-16(10-12-25)20(23)26/h3-8,13,16H,9-12H2,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide?
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55645237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).