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

C14H17N3O4 — CID 43170125

IUPAC4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
SMILESNC(=O)N1CCCC(C(=O)Nc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C14H17N3O4/c15-14(21)17-7-1-2-10(8-17)12(18)16-11-5-3-9(4-6-11)13(19)20/h3-6,10H,1-2,7-8H2,(H2,15,21)(H,16,18)(H,19,20)
InChIKeyOEGWZPCZAOXAAG-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.11
Rot. Bonds3

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

4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid (PubChem CID 43170125) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
PubChem CID43170125
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
SMILESNC(=O)N1CCCC(C(=O)Nc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C14H17N3O4/c15-14(21)17-7-1-2-10(8-17)12(18)16-11-5-3-9(4-6-11)13(19)20/h3-6,10H,1-2,7-8H2,(H2,15,21)(H,16,18)(H,19,20)
InChIKeyOEGWZPCZAOXAAG-UHFFFAOYSA-N
XLogP1.11
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
CID 9086541
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 9085378
N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344318
4-[[(3R)-1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]benzoic acid;hydrochloride
CID 70094187
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171793
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912

Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid (CID 43170125) is 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid is NC(=O)N1CCCC(C(=O)Nc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid?
The InChIKey is OEGWZPCZAOXAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-14(21)17-7-1-2-10(8-17)12(18)16-11-5-3-9(4-6-11)13(19)20/h3-6,10H,1-2,7-8H2,(H2,15,21)(H,16,18)(H,19,20).
What are the key properties of 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid?
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43170125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).