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

C13H16N2O4 — CID 61439140

IUPAC4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C13H16N2O4/c16-11-2-1-7-15(8-11)13(19)14-10-5-3-9(4-6-10)12(17)18/h3-6,11,16H,1-2,7-8H2,(H,14,19)(H,17,18)
InChIKeyATWLWGVWKDULCA-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.37
Rot. Bonds2

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

4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61439140) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61439140
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C13H16N2O4/c16-11-2-1-7-15(8-11)13(19)14-10-5-3-9(4-6-10)12(17)18/h3-6,11,16H,1-2,7-8H2,(H,14,19)(H,17,18)
InChIKeyATWLWGVWKDULCA-UHFFFAOYSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61435039
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 48739524
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid (CID 61439140) is 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is ATWLWGVWKDULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-2-1-7-15(8-11)13(19)14-10-5-3-9(4-6-10)12(17)18/h3-6,11,16H,1-2,7-8H2,(H,14,19)(H,17,18).
What are the key properties of 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61439140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).