1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid

C24H25NO2 — CID 3938794

IUPAC1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(c2cccc3ccccc23)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C24H25NO2/c1-17-12-14-19(15-13-17)23(25-16-5-4-11-22(25)24(26)27)21-10-6-8-18-7-2-3-9-20(18)21/h2-3,6-10,12-15,22-23H,4-5,11,16H2,1H3,(H,26,27)
InChIKeyMLVUXOKUENNRDC-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.18
Rot. Bonds4

About 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid

1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 3938794) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
PubChem CID3938794
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(c2cccc3ccccc23)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C24H25NO2/c1-17-12-14-19(15-13-17)23(25-16-5-4-11-22(25)24(26)27)21-10-6-8-18-7-2-3-9-20(18)21/h2-3,6-10,12-15,22-23H,4-5,11,16H2,1H3,(H,26,27)
InChIKeyMLVUXOKUENNRDC-UHFFFAOYSA-N
XLogP5.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-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-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3991262
1-[(3-bromophenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 4563543
1-[(2-bromophenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3481249
1-[(2,3-dimethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4036700
1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3658747
1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-2-carboxylic acid
CID 3665581
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-2-carboxylic acid
CID 4542045
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4011103
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid
CID 5134803

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid (CID 3938794) is 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid is Cc1ccc(C(c2cccc3ccccc23)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is MLVUXOKUENNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17-12-14-19(15-13-17)23(25-16-5-4-11-22(25)24(26)27)21-10-6-8-18-7-2-3-9-20(18)21/h2-3,6-10,12-15,22-23H,4-5,11,16H2,1H3,(H,26,27).
What are the key properties of 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid?
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3938794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).