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

C16H24N2OS — CID 62211685

IUPAC1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one
SMILESCC1c2ccsc2CCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-12-14-7-11-20-15(14)6-10-18(12)16(19)3-2-13-4-8-17-9-5-13/h7,11-13,17H,2-6,8-10H2,1H3
InChIKeyDLCOMLJTAGFTBC-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.97
Rot. Bonds3

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

1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 62211685) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID62211685
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one
SMILESCC1c2ccsc2CCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C16H24N2OS/c1-12-14-7-11-20-15(14)6-10-18(12)16(19)3-2-13-4-8-17-9-5-13/h7,11-13,17H,2-6,8-10H2,1H3
InChIKeyDLCOMLJTAGFTBC-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one (CID 62211685) is 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one is CC1c2ccsc2CCN1C(=O)CCC1CCNCC1.
What is the InChIKey of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is DLCOMLJTAGFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-14-7-11-20-15(14)6-10-18(12)16(19)3-2-13-4-8-17-9-5-13/h7,11-13,17H,2-6,8-10H2,1H3.
What are the key properties of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one?
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 62211685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).