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

C14H18N4OS — CID 79085749

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H18N4OS/c15-7-12-8-16-3-5-17(12)10-14(19)18-4-1-13-11(9-18)2-6-20-13/h2,6,12,16H,1,3-5,8-10H2
InChIKeyRSYBMPBGSYHXOF-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.43
Rot. Bonds2

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

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile (PubChem CID 79085749) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile
PubChem CID79085749
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H18N4OS/c15-7-12-8-16-3-5-17(12)10-14(19)18-4-1-13-11(9-18)2-6-20-13/h2,6,12,16H,1,3-5,8-10H2
InChIKeyRSYBMPBGSYHXOF-UHFFFAOYSA-N
XLogP0.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 41304106
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
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-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41405202
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126428052
2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 79086401
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120960893
2-[(2R)-2-benzylpyrrolidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 32665629
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119700097
2-(4-aminophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 119700080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile (CID 79085749) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile is N#CC1CNCCN1CC(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile?
The InChIKey is RSYBMPBGSYHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-7-12-8-16-3-5-17(12)10-14(19)18-4-1-13-11(9-18)2-6-20-13/h2,6,12,16H,1,3-5,8-10H2.
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile has a molecular weight of 290.39 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).