4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one

C19H21F3N2OS — CID 71519596

IUPAC4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)15-6-8-16(9-7-15)23-10-12-24(13-11-23)18(25)5-1-3-17-4-2-14-26-17/h2,4,6-9,14H,1,3,5,10-13H2
InChIKeyKJARPKCKZJCRAS-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.44
Rot. Bonds5

About 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one

4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one (PubChem CID 71519596) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
PubChem CID71519596
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)15-6-8-16(9-7-15)23-10-12-24(13-11-23)18(25)5-1-3-17-4-2-14-26-17/h2,4,6-9,14H,1,3,5,10-13H2
InChIKeyKJARPKCKZJCRAS-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 137700027
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(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
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1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653
1-[3-Fluoro-4-[3-methyl-4-(2-thienylcarbonyl)-1-piperazinyl]phenyl]ethanone
CID 2939373
(E)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 6224117
1-Phenyl-4-[phenyl(phenylsulfanyl)acetyl]piperazine
CID 2886289
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 2472264

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one (CID 71519596) is 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one is O=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
The InChIKey is KJARPKCKZJCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c20-19(21,22)15-6-8-16(9-7-15)23-10-12-24(13-11-23)18(25)5-1-3-17-4-2-14-26-17/h2,4,6-9,14H,1,3,5,10-13H2.
What are the key properties of 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one has a molecular weight of 382.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 71519596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).