1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C25H31FN2O2S — CID 21471956

IUPAC1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCCc1c(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)sc2c1CN(C(C)=O)CC2
InChIInChI=1S/C25H31FN2O2S/c1-3-21-22-16-28(17(2)29)15-11-24(22)31-23(21)10-14-27-12-8-19(9-13-27)25(30)18-4-6-20(26)7-5-18/h4-7,19H,3,8-16H2,1-2H3
InChIKeyUSQJHCNXUAXRBF-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.49
Rot. Bonds6

About 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 21471956) has the molecular formula C25H31FN2O2S and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID21471956
Molecular FormulaC25H31FN2O2S
Molecular Weight442.60 g/mol
Exact Mass442.21
IUPAC Name1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCCc1c(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)sc2c1CN(C(C)=O)CC2
InChIInChI=1S/C25H31FN2O2S/c1-3-21-22-16-28(17(2)29)15-11-24(22)31-23(21)10-14-27-12-8-19(9-13-27)25(30)18-4-6-20(26)7-5-18/h4-7,19H,3,8-16H2,1-2H3
InChIKeyUSQJHCNXUAXRBF-UHFFFAOYSA-N
XLogP4.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;oxalic acid
CID 21471950
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
CID 10202833
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
1-[3-ethyl-2-[2-[4-(5-methyl-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21472011
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone
CID 139722170
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 21471956) is 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is CCc1c(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)sc2c1CN(C(C)=O)CC2.
What is the InChIKey of 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is USQJHCNXUAXRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2S/c1-3-21-22-16-28(17(2)29)15-11-24(22)31-23(21)10-14-27-12-8-19(9-13-27)25(30)18-4-6-20(26)7-5-18/h4-7,19H,3,8-16H2,1-2H3.
What are the key properties of 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 442.60 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 21471956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).