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

C14H20N2O2S — CID 41327585

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)CC1)N1CCc2sccc2C1
InChIInChI=1S/C14H20N2O2S/c17-12-1-5-15(6-2-12)10-14(18)16-7-3-13-11(9-16)4-8-19-13/h4,8,12,17H,1-3,5-7,9-10H2
InChIKeySHDPGMXGRPTUQA-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.09
Rot. Bonds2

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 41327585) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID41327585
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)CC1)N1CCc2sccc2C1
InChIInChI=1S/C14H20N2O2S/c17-12-1-5-15(6-2-12)10-14(18)16-7-3-13-11(9-16)4-8-19-13/h4,8,12,17H,1-3,5-7,9-10H2
InChIKeySHDPGMXGRPTUQA-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone (CID 41327585) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone is O=C(CN1CCC(O)CC1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is SHDPGMXGRPTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-12-1-5-15(6-2-12)10-14(18)16-7-3-13-11(9-16)4-8-19-13/h4,8,12,17H,1-3,5-7,9-10H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 280.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 41327585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).