1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one

C19H30N2O2S — CID 24962736

IUPAC1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
SMILESCCCC(=O)N1CCc2sc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H30N2O2S/c1-2-7-18(22)21-12-8-17-16(15-21)14-19(24-17)23-13-6-11-20-9-4-3-5-10-20/h14H,2-13,15H2,1H3
InChIKeyWOJQLOJDOFGUBR-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.69
Rot. Bonds7

About 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one

1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one (PubChem CID 24962736) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
PubChem CID24962736
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one
SMILESCCCC(=O)N1CCc2sc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H30N2O2S/c1-2-7-18(22)21-12-8-17-16(15-21)14-19(24-17)23-13-6-11-20-9-4-3-5-10-20/h14H,2-13,15H2,1H3
InChIKeyWOJQLOJDOFGUBR-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one?
The IUPAC name of 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one (CID 24962736) is 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one.
What is the SMILES notation for 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one?
The canonical SMILES for 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one is CCCC(=O)N1CCc2sc(OCCCN3CCCCC3)cc2C1.
What is the InChIKey of 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one?
The InChIKey is WOJQLOJDOFGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-2-7-18(22)21-12-8-17-16(15-21)14-19(24-17)23-13-6-11-20-9-4-3-5-10-20/h14H,2-13,15H2,1H3.
What are the key properties of 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one?
1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one has a molecular weight of 350.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butan-1-one is sourced from PubChem (CID 24962736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).