4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid

C14H17ClN2O3 — CID 63131872

IUPAC4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCCNC1
InChIInChI=1S/C14H17ClN2O3/c1-14(5-2-6-16-8-14)13(20)17-11-7-9(15)3-4-10(11)12(18)19/h3-4,7,16H,2,5-6,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNUQDGBNYNNNSIP-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.37
Rot. Bonds3

About 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid

4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid (PubChem CID 63131872) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
PubChem CID63131872
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCCNC1
InChIInChI=1S/C14H17ClN2O3/c1-14(5-2-6-16-8-14)13(20)17-11-7-9(15)3-4-10(11)12(18)19/h3-4,7,16H,2,5-6,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyNUQDGBNYNNNSIP-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
4,5-difluoro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63132812
methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide
CID 113357176
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 63129991
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid (CID 63131872) is 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid is CC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCCNC1.
What is the InChIKey of 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid?
The InChIKey is NUQDGBNYNNNSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(5-2-6-16-8-14)13(20)17-11-7-9(15)3-4-10(11)12(18)19/h3-4,7,16H,2,5-6,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid?
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63131872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).