4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid

C20H20N2O4 — CID 119177742

IUPAC4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N2O4/c23-18(21-17-8-6-16(7-9-17)20(25)26)14-10-12-22(13-11-14)19(24)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,21,23)(H,25,26)
InChIKeyJTCCZSBLCPCDNL-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds4

About 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid

4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid (PubChem CID 119177742) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
PubChem CID119177742
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N2O4/c23-18(21-17-8-6-16(7-9-17)20(25)26)14-10-12-22(13-11-14)19(24)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,21,23)(H,25,26)
InChIKeyJTCCZSBLCPCDNL-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-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid (CID 119177742) is 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
The InChIKey is JTCCZSBLCPCDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-17-8-6-16(7-9-17)20(25)26)14-10-12-22(13-11-14)19(24)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,21,23)(H,25,26).
What are the key properties of 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic 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 4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 119177742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).