1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid

C25H27NO3 — CID 3895314

IUPAC1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
SMILESCCOc1cccc(C(c2ccc3ccccc3c2)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C25H27NO3/c1-2-29-23-9-5-8-21(17-23)24(26-14-12-19(13-15-26)25(27)28)22-11-10-18-6-3-4-7-20(18)16-22/h3-11,16-17,19,24H,2,12-15H2,1H3,(H,27,28)
InChIKeyRCIKOUFPFTVPJJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.12
Rot. Bonds6

About 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid

1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3895314) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3895314
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
SMILESCCOc1cccc(C(c2ccc3ccccc3c2)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C25H27NO3/c1-2-29-23-9-5-8-21(17-23)24(26-14-12-19(13-15-26)25(27)28)22-11-10-18-6-3-4-7-20(18)16-22/h3-11,16-17,19,24H,2,12-15H2,1H3,(H,27,28)
InChIKeyRCIKOUFPFTVPJJ-UHFFFAOYSA-N
XLogP5.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]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-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4598691
1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3643128
1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3964212
1-[(4-ethoxy-3-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3522390
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
1-[(3,5-dimethylphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3878307
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3359268
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 4542051
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
1-[(2,4-difluorophenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 5029274

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid (CID 3895314) is 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid is CCOc1cccc(C(c2ccc3ccccc3c2)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is RCIKOUFPFTVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-2-29-23-9-5-8-21(17-23)24(26-14-12-19(13-15-26)25(27)28)22-11-10-18-6-3-4-7-20(18)16-22/h3-11,16-17,19,24H,2,12-15H2,1H3,(H,27,28).
What are the key properties of 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid?
1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 389.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3895314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).