(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone

C22H27NO2S — CID 90505233

IUPAC(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESCCSc1ccccc1C(=O)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C22H27NO2S/c1-2-26-21-13-7-6-12-20(21)22(24)23-14-8-11-19(15-23)17-25-16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3
InChIKeyBCHKLPXBNFZKOW-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.87
Rot. Bonds7

About (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone

(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone (PubChem CID 90505233) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
PubChem CID90505233
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESCCSc1ccccc1C(=O)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C22H27NO2S/c1-2-26-21-13-7-6-12-20(21)22(24)23-14-8-11-19(15-23)17-25-16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3
InChIKeyBCHKLPXBNFZKOW-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-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

(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
2-[2-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119186825
1-[3-(phenylmethoxymethyl)piperidin-1-yl]-2-propylpentan-1-one
CID 90505130
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
(5-amino-2-methylphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120636524
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone (CID 90505233) is (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone is CCSc1ccccc1C(=O)N1CCCC(COCc2ccccc2)C1.
What is the InChIKey of (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is BCHKLPXBNFZKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-2-26-21-13-7-6-12-20(21)22(24)23-14-8-11-19(15-23)17-25-16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3.
What are the key properties of (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 369.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90505233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).