3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid

C20H20N2O4 — CID 119219598

IUPAC3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H20N2O4/c23-18(21-17-8-4-7-16(13-17)20(25)26)14-9-11-22(12-10-14)19(24)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,21,23)(H,25,26)
InChIKeyKXQQBUJPMLSDQF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds4

About 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid

3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid (PubChem CID 119219598) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
PubChem CID119219598
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H20N2O4/c23-18(21-17-8-4-7-16(13-17)20(25)26)14-9-11-22(12-10-14)19(24)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,21,23)(H,25,26)
InChIKeyKXQQBUJPMLSDQF-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-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid (CID 119219598) is 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
The InChIKey is KXQQBUJPMLSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-17-8-4-7-16(13-17)20(25)26)14-9-11-22(12-10-14)19(24)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,21,23)(H,25,26).
What are the key properties of 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid?
3-[(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 3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 119219598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).