1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

C20H24FN3OS — CID 17424096

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCCC1c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)20(25)15-24-9-1-3-18(24)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2
InChIKeySFVLFHUPBLBCDD-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.37
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 17424096) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
PubChem CID17424096
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCCC1c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)20(25)15-24-9-1-3-18(24)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2
InChIKeySFVLFHUPBLBCDD-UHFFFAOYSA-N
XLogP3.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 25409790
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 41292185
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 47010546
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 98706638
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51339468
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 42950439
4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440117
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 70756746
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone
CID 4292802
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60501681
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 18088059

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (CID 17424096) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCCC1c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is SFVLFHUPBLBCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)20(25)15-24-9-1-3-18(24)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 373.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 17424096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).