1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid

C20H20N2O4 — CID 119175893

IUPAC1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(14-6-2-1-3-7-14)21-16-11-9-15(10-12-16)19(24)22-13-5-4-8-17(22)20(25)26/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,21,23)(H,25,26)
InChIKeyDOVUXCIHMUBQMK-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid

1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid (PubChem CID 119175893) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
PubChem CID119175893
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(14-6-2-1-3-7-14)21-16-11-9-15(10-12-16)19(24)22-13-5-4-8-17(22)20(25)26/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,21,23)(H,25,26)
InChIKeyDOVUXCIHMUBQMK-UHFFFAOYSA-N
XLogP3.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115249
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 132900807
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
CID 120536874

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid (CID 119175893) is 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCCCC2C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid?
The InChIKey is DOVUXCIHMUBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(14-6-2-1-3-7-14)21-16-11-9-15(10-12-16)19(24)22-13-5-4-8-17(22)20(25)26/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,21,23)(H,25,26).
What are the key properties of 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid?
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119175893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).