2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C18H22N2O2S2 — CID 47015675

IUPAC2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CN1CCCC(O)C1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C18H22N2O2S2/c21-13-3-1-7-19(11-13)12-17(22)20-8-5-15-14(6-10-24-15)18(20)16-4-2-9-23-16/h2,4,6,9-10,13,18,21H,1,3,5,7-8,11-12H2
InChIKeyZJGPNOCBMGJXEQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.74
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 47015675) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID47015675
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CN1CCCC(O)C1)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C18H22N2O2S2/c21-13-3-1-7-19(11-13)12-17(22)20-8-5-15-14(6-10-24-15)18(20)16-4-2-9-23-16/h2,4,6,9-10,13,18,21H,1,3,5,7-8,11-12H2
InChIKeyZJGPNOCBMGJXEQ-UHFFFAOYSA-N
XLogP2.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-ethyl-5-methyl-3-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]imidazolidine-2,4-dione
CID 40844552
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
2-[methyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 24567907
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 17471326
1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-[4-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]phenyl]acetamide
CID 9075486
3-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 26002901
2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41041927
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-(4-methoxyphenyl)sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075414

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 47015675) is 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is O=C(CN1CCCC(O)C1)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is ZJGPNOCBMGJXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c21-13-3-1-7-19(11-13)12-17(22)20-8-5-15-14(6-10-24-15)18(20)16-4-2-9-23-16/h2,4,6,9-10,13,18,21H,1,3,5,7-8,11-12H2.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 362.52 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 47015675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).