4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid

C17H23NO3 — CID 63123391

IUPAC4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(CCC(=O)N2CCC(C)(C(=O)O)CC2)c1
InChIInChI=1S/C17H23NO3/c1-13-4-3-5-14(12-13)6-7-15(19)18-10-8-17(2,9-11-18)16(20)21/h3-5,12H,6-11H2,1-2H3,(H,20,21)
InChIKeyAGJRSEUJLGVNJF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds4

About 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid

4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 63123391) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID63123391
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(CCC(=O)N2CCC(C)(C(=O)O)CC2)c1
InChIInChI=1S/C17H23NO3/c1-13-4-3-5-14(12-13)6-7-15(19)18-10-8-17(2,9-11-18)16(20)21/h3-5,12H,6-11H2,1-2H3,(H,20,21)
InChIKeyAGJRSEUJLGVNJF-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-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

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 103727453
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810943
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634
3-(3-methylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798897
(3aS,6aR)-2-[3-(3-methylphenyl)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682246

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid (CID 63123391) is 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid is Cc1cccc(CCC(=O)N2CCC(C)(C(=O)O)CC2)c1.
What is the InChIKey of 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is AGJRSEUJLGVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-4-3-5-14(12-13)6-7-15(19)18-10-8-17(2,9-11-18)16(20)21/h3-5,12H,6-11H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid?
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63123391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).