1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C15H19ClN2O3 — CID 114425691

IUPAC1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-9-6-7-18(12(8-9)14(19)20)15(21)17-13-10(2)4-3-5-11(13)16/h3-5,9,12H,6-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyPMWHPRKIKDRXJZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.37
Rot. Bonds2

About 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425691) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425691
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-9-6-7-18(12(8-9)14(19)20)15(21)17-13-10(2)4-3-5-11(13)16/h3-5,9,12H,6-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyPMWHPRKIKDRXJZ-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-[(2-chloro-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114426059
1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107601975
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
(2S,4R)-4-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 100618454
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66252015
4-[(2,6-dichlorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906756
(2S,4R)-1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104877883
1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425698
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425691) is 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is Cc1cccc(Cl)c1NC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is PMWHPRKIKDRXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-6-7-18(12(8-9)14(19)20)15(21)17-13-10(2)4-3-5-11(13)16/h3-5,9,12H,6-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-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-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).