[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone

C21H26N2O2S — CID 24964973

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1SCCc1ccccc1)N1CCCC(CCO)C1
InChIInChI=1S/C21H26N2O2S/c24-14-10-18-8-5-13-23(16-18)21(25)19-9-4-12-22-20(19)26-15-11-17-6-2-1-3-7-17/h1-4,6-7,9,12,18,24H,5,8,10-11,13-16H2
InChIKeyWKXNGZWPXANWQQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.65
Rot. Bonds7

About [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone (PubChem CID 24964973) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
PubChem CID24964973
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1SCCc1ccccc1)N1CCCC(CCO)C1
InChIInChI=1S/C21H26N2O2S/c24-14-10-18-8-5-13-23(16-18)21(25)19-9-4-12-22-20(19)26-15-11-17-6-2-1-3-7-17/h1-4,6-7,9,12,18,24H,5,8,10-11,13-16H2
InChIKeyWKXNGZWPXANWQQ-UHFFFAOYSA-N
XLogP3.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

2-benzylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356079
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107229128
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111375863
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 91774525
[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 133268360
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95398964
[(2S,4R)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 91788833

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone (CID 24964973) is [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone is O=C(c1cccnc1SCCc1ccccc1)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone?
The InChIKey is WKXNGZWPXANWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-14-10-18-8-5-13-23(16-18)21(25)19-9-4-12-22-20(19)26-15-11-17-6-2-1-3-7-17/h1-4,6-7,9,12,18,24H,5,8,10-11,13-16H2.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone has a molecular weight of 370.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone is sourced from PubChem (CID 24964973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).