(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone

C22H27NO2S — CID 145118573

IUPAC(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
SMILESCS(=O)c1ccc2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2c1
InChIInChI=1S/C22H27NO2S/c1-26(25)21-11-10-16-13-18(9-8-17(16)14-21)22(24)19-5-4-12-23(15-19)20-6-2-3-7-20/h8-11,13-14,19-20H,2-7,12,15H2,1H3
InChIKeySEPCTXPIJGAQAP-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.41
Rot. Bonds4

About (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone

(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone (PubChem CID 145118573) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
PubChem CID145118573
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
SMILESCS(=O)c1ccc2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2c1
InChIInChI=1S/C22H27NO2S/c1-26(25)21-11-10-16-13-18(9-8-17(16)14-21)22(24)19-5-4-12-23(15-19)20-6-2-3-7-20/h8-11,13-14,19-20H,2-7,12,15H2,1H3
InChIKeySEPCTXPIJGAQAP-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone 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

(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
CID 121479288
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 145118852
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
CID 134203197
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone?
The IUPAC name of (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone (CID 145118573) is (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone.
What is the SMILES notation for (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone?
The canonical SMILES for (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone is CS(=O)c1ccc2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2c1.
What is the InChIKey of (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone?
The InChIKey is SEPCTXPIJGAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-26(25)21-11-10-16-13-18(9-8-17(16)14-21)22(24)19-5-4-12-23(15-19)20-6-2-3-7-20/h8-11,13-14,19-20H,2-7,12,15H2,1H3.
What are the key properties of (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone?
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone has a molecular weight of 369.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone is sourced from PubChem (CID 145118573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).