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

C17H26N2OS — CID 91625159

IUPAC1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCc3sccc3C2)CC1
InChIInChI=1S/C17H26N2OS/c1-17(2,3)16(20)18-8-4-14(5-9-18)19-10-6-15-13(12-19)7-11-21-15/h7,11,14H,4-6,8-10,12H2,1-3H3
InChIKeyDROAVWPLYUTSCT-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.14
Rot. Bonds1

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

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 91625159) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID91625159
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCc3sccc3C2)CC1
InChIInChI=1S/C17H26N2OS/c1-17(2,3)16(20)18-8-4-14(5-9-18)19-10-6-15-13(12-19)7-11-21-15/h7,11,14H,4-6,8-10,12H2,1-3H3
InChIKeyDROAVWPLYUTSCT-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121154228
1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 121154421
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 79642921
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 91625187
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]pentan-1-one;hydrochloride
CID 119099941
5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56860748
cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
CID 129365586
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]methanone
CID 91625170
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121154415
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121017174

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 91625159) is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(N2CCc3sccc3C2)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is DROAVWPLYUTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-17(2,3)16(20)18-8-4-14(5-9-18)19-10-6-15-13(12-19)7-11-21-15/h7,11,14H,4-6,8-10,12H2,1-3H3.
What are the key properties of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 306.47 g/mol, XLogP of 3.14, 1 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-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 91625159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).