4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

C16H24N4O2S — CID 86915991

IUPAC4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C16H24N4O2S/c1-2-17-16(22)19-8-6-18(7-9-19)12-15(21)20-5-3-14-13(11-20)4-10-23-14/h4,10H,2-3,5-9,11-12H2,1H3,(H,17,22)
InChIKeyDYAZVJKNEKIZNJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.98
Rot. Bonds3

About 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 86915991) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID86915991
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C16H24N4O2S/c1-2-17-16(22)19-8-6-18(7-9-19)12-15(21)20-5-3-14-13(11-20)4-10-23-14/h4,10H,2-3,5-9,11-12H2,1H3,(H,17,22)
InChIKeyDYAZVJKNEKIZNJ-UHFFFAOYSA-N
XLogP0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
1-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868063
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55870828
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119922344
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 41304106
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 95152579
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 119926401

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (CID 86915991) is 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1.
What is the InChIKey of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is DYAZVJKNEKIZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-17-16(22)19-8-6-18(7-9-19)12-15(21)20-5-3-14-13(11-20)4-10-23-14/h4,10H,2-3,5-9,11-12H2,1H3,(H,17,22).
What are the key properties of 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 86915991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).