2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid

C15H20N2O3 — CID 104597875

IUPAC2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccccc1NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-7-3-4-8-12(11)16-14(20)17-10-6-5-9-15(17,2)13(18)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDPZGBYBIALVNDT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.86
Rot. Bonds2

About 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid

2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 104597875) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID104597875
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccccc1NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-7-3-4-8-12(11)16-14(20)17-10-6-5-9-15(17,2)13(18)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDPZGBYBIALVNDT-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597866
1-[(3-bromo-2-methylphenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 107627474
1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597878
2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597815
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
1-[(3-ethynylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597765
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 107614592
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107843053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid (CID 104597875) is 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid is Cc1ccccc1NC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is DPZGBYBIALVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-7-3-4-8-12(11)16-14(20)17-10-6-5-9-15(17,2)13(18)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).