[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone

C23H25FN4OS — CID 50839504

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2nccc3sccc23)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H25FN4OS/c24-19-5-1-2-6-20(19)26-11-13-27(14-12-26)23(29)17-4-3-10-28(16-17)22-18-8-15-30-21(18)7-9-25-22/h1-2,5-9,15,17H,3-4,10-14,16H2
InChIKeyHVYUAMROEVDEIZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.00
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone (PubChem CID 50839504) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
PubChem CID50839504
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2nccc3sccc23)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H25FN4OS/c24-19-5-1-2-6-20(19)26-11-13-27(14-12-26)23(29)17-4-3-10-28(16-17)22-18-8-15-30-21(18)7-9-25-22/h1-2,5-9,15,17H,3-4,10-14,16H2
InChIKeyHVYUAMROEVDEIZ-UHFFFAOYSA-N
XLogP4.00
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone with MolForge

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396512
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 95086059
(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
CID 163346052
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 50839572

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone (CID 50839504) is [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2nccc3sccc23)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The InChIKey is HVYUAMROEVDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c24-19-5-1-2-6-20(19)26-11-13-27(14-12-26)23(29)17-4-3-10-28(16-17)22-18-8-15-30-21(18)7-9-25-22/h1-2,5-9,15,17H,3-4,10-14,16H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone has a molecular weight of 424.55 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 50839504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).