5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C17H23N3O3S — CID 97208038

IUPAC5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCN(C(C)=O)C1)C2
InChIInChI=1S/C17H23N3O3S/c1-11(21)19-6-3-4-12(9-19)17(23)20-7-5-14-13(10-20)8-15(24-14)16(22)18-2/h8,12H,3-7,9-10H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyZDFQJGFTQIYABB-LBPRGKRZSA-N
MW349.46 g/mol
LogP1.25
Rot. Bonds2

About 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 97208038) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID97208038
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCN(C(C)=O)C1)C2
InChIInChI=1S/C17H23N3O3S/c1-11(21)19-6-3-4-12(9-19)17(23)20-7-5-14-13(10-20)8-15(24-14)16(22)18-2/h8,12H,3-7,9-10H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyZDFQJGFTQIYABB-LBPRGKRZSA-N
XLogP1.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158808
5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97112365
5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97270670
5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97148888
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72887758
(3R)-3-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]piperidine-1-carboxamide
CID 9090734
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
piperidin-1-yl-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]methanone
CID 71836586
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 9158057
[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 53158935

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 97208038) is 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCN(C(C)=O)C1)C2.
What is the InChIKey of 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZDFQJGFTQIYABB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11(21)19-6-3-4-12(9-19)17(23)20-7-5-14-13(10-20)8-15(24-14)16(22)18-2/h8,12H,3-7,9-10H2,1-2H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 97208038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).