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

C15H23ClN2OS — CID 91623579

IUPAC1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC(CN2CCc3sccc3C2)CC1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12(18)17-7-2-13(3-8-17)10-16-6-4-15-14(11-16)5-9-19-15;/h5,9,13H,2-4,6-8,10-11H2,1H3;1H
InChIKeyIWSIMJLZOLRFSZ-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.79
Rot. Bonds2

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

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 91623579) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID91623579
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC(CN2CCc3sccc3C2)CC1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12(18)17-7-2-13(3-8-17)10-16-6-4-15-14(11-16)5-9-19-15;/h5,9,13H,2-4,6-8,10-11H2,1H3;1H
InChIKeyIWSIMJLZOLRFSZ-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429
Cambridge id 6578772
CID 2187048
5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 25596460
Cambridge id 6579821
CID 30137476
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089988
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 47803961
(1-benzylpiperidin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 53519464

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride (CID 91623579) is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCC(CN2CCc3sccc3C2)CC1.Cl.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is IWSIMJLZOLRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-12(18)17-7-2-13(3-8-17)10-16-6-4-15-14(11-16)5-9-19-15;/h5,9,13H,2-4,6-8,10-11H2,1H3;1H.
What are the key properties of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride?
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 91623579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).