1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid

C23H25NO2S — CID 4213640

IUPAC1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid
SMILESCCc1ccc(C(c2ccc3ccccc3c2)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C23H25NO2S/c1-2-20-11-12-21(27-20)22(24-13-5-8-19(15-24)23(25)26)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-12,14,19,22H,2,5,8,13,15H2,1H3,(H,25,26)
InChIKeyABEJPGHBRNGQNI-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.35
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid

1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid (PubChem CID 4213640) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid
PubChem CID4213640
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid
SMILESCCc1ccc(C(c2ccc3ccccc3c2)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C23H25NO2S/c1-2-20-11-12-21(27-20)22(24-13-5-8-19(15-24)23(25)26)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-12,14,19,22H,2,5,8,13,15H2,1H3,(H,25,26)
InChIKeyABEJPGHBRNGQNI-UHFFFAOYSA-N
XLogP5.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-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

1-[(5-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 5202248
1-[1-benzothiophen-2-yl-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5032514
1-[naphthalen-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 4562345
1-[1-benzothiophen-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4210181
1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4279685
1-[(5-bromo-2-methoxyphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid
CID 4315687
1-[1-benzothiophen-2-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4284023
1-[isoquinolin-6-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 3560605
1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid
CID 3691753
1-[1-benzothiophen-2-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3905662
1-[(5-bromothiophen-2-yl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4287184
1-[(5-chlorothiophen-2-yl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4316282

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid (CID 4213640) is 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid is CCc1ccc(C(c2ccc3ccccc3c2)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid?
The InChIKey is ABEJPGHBRNGQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-2-20-11-12-21(27-20)22(24-13-5-8-19(15-24)23(25)26)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-12,14,19,22H,2,5,8,13,15H2,1H3,(H,25,26).
What are the key properties of 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid?
1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid has a molecular weight of 379.53 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4213640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).