[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C17H14ClF3N2O2S — CID 86780452

IUPAC[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H14ClF3N2O2S/c18-13-4-3-11(10-12(13)17(19,20)21)15(24)22-5-7-23(8-6-22)16(25)14-2-1-9-26-14/h1-4,9-10H,5-8H2
InChIKeyNYGTUTXVMNXWIB-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.02
Rot. Bonds2

About [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 86780452) has the molecular formula C17H14ClF3N2O2S and a molecular weight of 402.83 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID86780452
Molecular FormulaC17H14ClF3N2O2S
Molecular Weight402.83 g/mol
Exact Mass402.04
IUPAC Name[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H14ClF3N2O2S/c18-13-4-3-11(10-12(13)17(19,20)21)15(24)22-5-7-23(8-6-22)16(25)14-2-1-9-26-14/h1-4,9-10H,5-8H2
InChIKeyNYGTUTXVMNXWIB-UHFFFAOYSA-N
XLogP4.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

2-tert-butyl-5-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545907
(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 171678646
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(3-chloro-4-ethoxyphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137338195
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 86780452) is [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NYGTUTXVMNXWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2S/c18-13-4-3-11(10-12(13)17(19,20)21)15(24)22-5-7-23(8-6-22)16(25)14-2-1-9-26-14/h1-4,9-10H,5-8H2.
What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 402.83 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86780452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).