3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid

C15H19NO3 — CID 68537801

IUPAC3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
SMILESCc1ccccc1CN1CCCC(C)(C(=O)O)C1=O
InChIInChI=1S/C15H19NO3/c1-11-6-3-4-7-12(11)10-16-9-5-8-15(2,13(16)17)14(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyDCKMZIKSBOLGRC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.21
Rot. Bonds3

About 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid

3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid (PubChem CID 68537801) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
PubChem CID68537801
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
SMILESCc1ccccc1CN1CCCC(C)(C(=O)O)C1=O
InChIInChI=1S/C15H19NO3/c1-11-6-3-4-7-12(11)10-16-9-5-8-15(2,13(16)17)14(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyDCKMZIKSBOLGRC-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-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

4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 56880244
(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508
1-[(2-methylphenyl)methyl]-2-oxoazetidine-3-carboxylic acid
CID 82472302
1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837741
3-methyl-2-oxo-1-pent-4-enylpiperidine-3-carboxylic acid
CID 10751667
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310833
(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
CID 102522516
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
1-benzyl-3-[5-methyl-2-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
CID 46070798
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid (CID 68537801) is 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid is Cc1ccccc1CN1CCCC(C)(C(=O)O)C1=O.
What is the InChIKey of 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid?
The InChIKey is DCKMZIKSBOLGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-3-4-7-12(11)10-16-9-5-8-15(2,13(16)17)14(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid?
3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 68537801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).