1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid

C14H17NO3 — CID 116837741

IUPAC1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
SMILESCc1ccccc1CN1CCC(C(=O)O)CC1=O
InChIInChI=1S/C14H17NO3/c1-10-4-2-3-5-12(10)9-15-7-6-11(14(17)18)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyILYXIDLEUUGTRT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.82
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid

1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid (PubChem CID 116837741) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
PubChem CID116837741
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
SMILESCc1ccccc1CN1CCC(C(=O)O)CC1=O
InChIInChI=1S/C14H17NO3/c1-10-4-2-3-5-12(10)9-15-7-6-11(14(17)18)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyILYXIDLEUUGTRT-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-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

2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
1-[(2-methylphenyl)methyl]-2-oxoazetidine-3-carboxylic acid
CID 82472302
1-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 56812349
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid (CID 116837741) is 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid is Cc1ccccc1CN1CCC(C(=O)O)CC1=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid?
The InChIKey is ILYXIDLEUUGTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-2-3-5-12(10)9-15-7-6-11(14(17)18)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid?
1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid is sourced from PubChem (CID 116837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).