1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C16H22N2O3 — CID 104597866

IUPAC1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)N2CCCCC2(C)C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-12(2)13(10-11)17-15(21)18-9-5-4-8-16(18,3)14(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyRGPSEIXZPHIZDD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.16
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597866) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597866
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)N2CCCCC2(C)C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-12(2)13(10-11)17-15(21)18-9-5-4-8-16(18,3)14(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyRGPSEIXZPHIZDD-UHFFFAOYSA-N
XLogP3.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597878
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 104597875
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 163311389
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 63219197
1-[(3-bromo-2-methylphenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 107627474
2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597815
1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 107614592
9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162629050
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595293
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597866) is 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is Cc1ccc(C)c(NC(=O)N2CCCCC2(C)C(=O)O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is RGPSEIXZPHIZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-7-12(2)13(10-11)17-15(21)18-9-5-4-8-16(18,3)14(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).