5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H27N3O4S — CID 97270670

IUPAC5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOCC(=O)N1CCC[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1
InChIInChI=1S/C19H27N3O4S/c1-20(2)19(25)16-9-14-11-22(8-6-15(14)27-16)18(24)13-5-4-7-21(10-13)17(23)12-26-3/h9,13H,4-8,10-12H2,1-3H3/t13-/m1/s1
InChIKeyLTKPQXLZZWWOPK-CYBMUJFWSA-N
MW393.51 g/mol
LogP1.22
Rot. Bonds4

About 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 97270670) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID97270670
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOCC(=O)N1CCC[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1
InChIInChI=1S/C19H27N3O4S/c1-20(2)19(25)16-9-14-11-22(8-6-15(14)27-16)18(24)13-5-4-7-21(10-13)17(23)12-26-3/h9,13H,4-8,10-12H2,1-3H3/t13-/m1/s1
InChIKeyLTKPQXLZZWWOPK-CYBMUJFWSA-N
XLogP1.22
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97148888
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702
N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72909816
5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 77085732
1-[3-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-1-yl]butan-1-one
CID 138998272
1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97202293
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 55605700
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411334

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 97270670) is 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is COCC(=O)N1CCC[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1.
What is the InChIKey of 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is LTKPQXLZZWWOPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-20(2)19(25)16-9-14-11-22(8-6-15(14)27-16)18(24)13-5-4-7-21(10-13)17(23)12-26-3/h9,13H,4-8,10-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 97270670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).