2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid

C14H17ClN2O3 — CID 114845026

IUPAC2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
SMILESCC1CCC(C(N)=O)CN1c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H17ClN2O3/c1-8-2-3-9(13(16)18)7-17(8)12-6-10(15)4-5-11(12)14(19)20/h4-6,8-9H,2-3,7H2,1H3,(H2,16,18)(H,19,20)
InChIKeyDXNIMPFTKFQQLU-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.13
Rot. Bonds3

About 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid

2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid (PubChem CID 114845026) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
PubChem CID114845026
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
SMILESCC1CCC(C(N)=O)CN1c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H17ClN2O3/c1-8-2-3-9(13(16)18)7-17(8)12-6-10(15)4-5-11(12)14(19)20/h4-6,8-9H,2-3,7H2,1H3,(H2,16,18)(H,19,20)
InChIKeyDXNIMPFTKFQQLU-UHFFFAOYSA-N
XLogP2.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
CID 83205781
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 66077237
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 63372713
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 47357719
1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
CID 66064522
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
1-(4-carbamothioyl-3-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 114288364
4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-chlorobenzoic acid
CID 63512763

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid?
The IUPAC name of 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid (CID 114845026) is 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid?
The canonical SMILES for 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid is CC1CCC(C(N)=O)CN1c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid?
The InChIKey is DXNIMPFTKFQQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-2-3-9(13(16)18)7-17(8)12-6-10(15)4-5-11(12)14(19)20/h4-6,8-9H,2-3,7H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid?
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid is sourced from PubChem (CID 114845026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).