1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

C16H22N2O3 — CID 63135826

IUPAC1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)N2CCCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-6-12(2)13(9-11)17-15(21)18-8-4-7-16(3,10-18)14(19)20/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWGUKYYCOICTPMD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.02
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63135826) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63135826
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)N2CCCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-6-12(2)13(9-11)17-15(21)18-8-4-7-16(3,10-18)14(19)20/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWGUKYYCOICTPMD-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
3-methyl-1-[(4-methyl-2-methylsulfonylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122095076
1-[[5-(ethylcarbamoylamino)-2-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091939
3-methyl-1-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076054
1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597866
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
3-methyl-1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092574
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
1-[(4-methoxy-2,5-dimethylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091702
3-methyl-1-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077719

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63135826) is 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is Cc1ccc(C)c(NC(=O)N2CCCC(C)(C(=O)O)C2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WGUKYYCOICTPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-12(2)13(9-11)17-15(21)18-8-4-7-16(3,10-18)14(19)20/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.02, 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]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).