1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C15H19ClN2O3 — CID 106742320

IUPAC1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCC(C(=O)O)CC2C)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-9-3-4-12(8-13(9)16)17-15(21)18-6-5-11(14(19)20)7-10(18)2/h3-4,8,10-11H,5-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWUFSIINLHYULHU-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.37
Rot. Bonds2

About 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742320) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106742320
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCC(C(=O)O)CC2C)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-9-3-4-12(8-13(9)16)17-15(21)18-6-5-11(14(19)20)7-10(18)2/h3-4,8,10-11H,5-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWUFSIINLHYULHU-UHFFFAOYSA-N
XLogP3.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-chlorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744270
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 99079641
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107601848
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744420

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106742320) is 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is Cc1ccc(NC(=O)N2CCC(C(=O)O)CC2C)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is WUFSIINLHYULHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-3-4-12(8-13(9)16)17-15(21)18-6-5-11(14(19)20)7-10(18)2/h3-4,8,10-11H,5-7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).