1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one

C24H29ClN2O2S — CID 57401531

IUPAC1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)sc2C1
InChIInChI=1S/C24H29ClN2O2S/c1-17(28)27-14-10-20-15-23(30-24(20)16-27)22(29)3-2-11-26-12-8-19(9-13-26)18-4-6-21(25)7-5-18/h4-7,15,19H,2-3,8-14,16H2,1H3
InChIKeyFQUQADPUMKHMGX-UHFFFAOYSA-N
MW445.03 g/mol
LogP5.15
Rot. Bonds6

About 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one

1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one (PubChem CID 57401531) has the molecular formula C24H29ClN2O2S and a molecular weight of 445.03 g/mol. Its IUPAC name is 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
PubChem CID57401531
Molecular FormulaC24H29ClN2O2S
Molecular Weight445.03 g/mol
Exact Mass444.16
IUPAC Name1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)sc2C1
InChIInChI=1S/C24H29ClN2O2S/c1-17(28)27-14-10-20-15-23(30-24(20)16-27)22(29)3-2-11-26-12-8-19(9-13-26)18-4-6-21(25)7-5-18/h4-7,15,19H,2-3,8-14,16H2,1H3
InChIKeyFQUQADPUMKHMGX-UHFFFAOYSA-N
XLogP5.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.03
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-(5-{[3-(4-Chlorobenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 24790127
N-(4-chlorophenethyl)-N-(4-oxocyclohexyl)benzo[b]thiophene-3-carboxamide
CID 44589668
[9-[(4-Chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
CID 52946249
1-(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 57392835
1'-{7-Chloro-4H-thieno[3,2-C]thiochromene-2-carbonyl}-1,4'-bipiperidine
CID 23602867
(4-Chloro-2-methylphenyl)-[1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 24791194
1-(4-{[3-(4-Chlorobenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 24793134
N-benzyl-1-[(5-chloro-2-thienyl)carbonyl]-N-methyl-3-piperidinamine
CID 24794192
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
[5-(4-Chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 2823748
(4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 2739301
US9776991, Example 63
CID 118112975

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one (CID 57401531) is 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one is CC(=O)N1CCc2cc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)sc2C1.
What is the InChIKey of 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one?
The InChIKey is FQUQADPUMKHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2S/c1-17(28)27-14-10-20-15-23(30-24(20)16-27)22(29)3-2-11-26-12-8-19(9-13-26)18-4-6-21(25)7-5-18/h4-7,15,19H,2-3,8-14,16H2,1H3.
What are the key properties of 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one?
1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one has a molecular weight of 445.03 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 57401531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).