2-chloro-6-(piperidine-1-carbonylamino)benzoic acid

C13H15ClN2O3 — CID 63722614

IUPAC2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H15ClN2O3/c14-9-5-4-6-10(11(9)12(17)18)15-13(19)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2,(H,15,19)(H,17,18)
InChIKeyRDIGUKQIYFRPAZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid

2-chloro-6-(piperidine-1-carbonylamino)benzoic acid (PubChem CID 63722614) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
PubChem CID63722614
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H15ClN2O3/c14-9-5-4-6-10(11(9)12(17)18)15-13(19)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2,(H,15,19)(H,17,18)
InChIKeyRDIGUKQIYFRPAZ-UHFFFAOYSA-N
XLogP3.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64694948
3-(azepane-1-carbonylamino)-4-chlorobenzoic acid
CID 61188522
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 107406894
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid (CID 63722614) is 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid is O=C(O)c1c(Cl)cccc1NC(=O)N1CCCCC1.
What is the InChIKey of 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid?
The InChIKey is RDIGUKQIYFRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-5-4-6-10(11(9)12(17)18)15-13(19)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2,(H,15,19)(H,17,18).
What are the key properties of 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid?
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid has a molecular weight of 282.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(piperidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 63722614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).