1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one

C24H33N3OS — CID 55915803

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(CN2CCN(CCC(=O)N3CCc4sccc4C3)CC2)cc1
InChIInChI=1S/C24H33N3OS/c1-19(2)21-5-3-20(4-6-21)17-26-14-12-25(13-15-26)10-8-24(28)27-11-7-23-22(18-27)9-16-29-23/h3-6,9,16,19H,7-8,10-15,17-18H2,1-2H3
InChIKeyDYYXXHJKQJIUEL-UHFFFAOYSA-N
MW411.62 g/mol
LogP3.96
Rot. Bonds6

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 55915803) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID55915803
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(CN2CCN(CCC(=O)N3CCc4sccc4C3)CC2)cc1
InChIInChI=1S/C24H33N3OS/c1-19(2)21-5-3-20(4-6-21)17-26-14-12-25(13-15-26)10-8-24(28)27-11-7-23-22(18-27)9-16-29-23/h3-6,9,16,19H,7-8,10-15,17-18H2,1-2H3
InChIKeyDYYXXHJKQJIUEL-UHFFFAOYSA-N
XLogP3.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]urea
CID 86882059
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]butane-1,4-dione
CID 56533768
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-hydroxy-5-propan-2-ylbenzamide
CID 71880862
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111394379
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 62023323
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one (CID 55915803) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one is CC(C)c1ccc(CN2CCN(CCC(=O)N3CCc4sccc4C3)CC2)cc1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is DYYXXHJKQJIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-19(2)21-5-3-20(4-6-21)17-26-14-12-25(13-15-26)10-8-24(28)27-11-7-23-22(18-27)9-16-29-23/h3-6,9,16,19H,7-8,10-15,17-18H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 411.62 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55915803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).