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

C20H20N2O4 — CID 94830857

IUPAC1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)19(24)22-12-10-16(11-13-22)20(25)26/h1-9,16H,10-13H2,(H,21,23)(H,25,26)
InChIKeyOPLAPADPYBJFET-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds4

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

1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid (PubChem CID 94830857) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
PubChem CID94830857
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)19(24)22-12-10-16(11-13-22)20(25)26/h1-9,16H,10-13H2,(H,21,23)(H,25,26)
InChIKeyOPLAPADPYBJFET-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
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
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250641
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid (CID 94830857) is 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is OPLAPADPYBJFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)19(24)22-12-10-16(11-13-22)20(25)26/h1-9,16H,10-13H2,(H,21,23)(H,25,26).
What are the key properties of 1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid?
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.88, 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-4-carboxylic acid is sourced from PubChem (CID 94830857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).