1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid

C21H22N2O4 — CID 132900807

IUPAC1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C21H22N2O4/c1-14-7-2-3-10-17(14)19(24)22-16-9-6-8-15(13-16)20(25)23-12-5-4-11-18(23)21(26)27/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,22,24)(H,26,27)
InChIKeyUMOMYKLTYXHILA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid

1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 132900807) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID132900807
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C21H22N2O4/c1-14-7-2-3-10-17(14)19(24)22-16-9-6-8-15(13-16)20(25)23-12-5-4-11-18(23)21(26)27/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,22,24)(H,26,27)
InChIKeyUMOMYKLTYXHILA-UHFFFAOYSA-N
XLogP3.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243505
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639
1-[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243601
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243578
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
1-[3-[[2-(butanoylamino)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243584
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid (CID 132900807) is 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid is Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is UMOMYKLTYXHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-7-2-3-10-17(14)19(24)22-16-9-6-8-15(13-16)20(25)23-12-5-4-11-18(23)21(26)27/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,22,24)(H,26,27).
What are the key properties of 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 132900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).