1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone

C18H16ClF3N2O3S — CID 44589733

IUPAC1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C(=O)C(F)(F)F)s2)CC1
InChIInChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3
InChIKeyFIMWAKPEWMTONO-UHFFFAOYSA-N
MW432.85 g/mol
LogP4.12
Rot. Bonds4

About 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone

1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone (PubChem CID 44589733) has the molecular formula C18H16ClF3N2O3S and a molecular weight of 432.85 g/mol. Its IUPAC name is 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone
PubChem CID44589733
Molecular FormulaC18H16ClF3N2O3S
Molecular Weight432.85 g/mol
Exact Mass432.05
IUPAC Name1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C(=O)C(F)(F)F)s2)CC1
InChIInChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3
InChIKeyFIMWAKPEWMTONO-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
3-Chloro-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10364070
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-1-one
CID 10807421
2,2,2-Trifluoro-1-(5-(4-(3-methoxyphenyl)piperazine-1-carbonyl)thiophen-2-yl)ethanone
CID 44589698
1-(2-Methoxyphenyl)-4-(thiophene-2-carbonyl)piperazine
CID 694533
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 9118903
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one
CID 10616443
3-[4-(4-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-1-(2,5-dimethyl-thiophen-3-yl)-propan-1-one
CID 10834384
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24671396
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide
CID 24982363

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone (CID 44589733) is 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone is COc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C(=O)C(F)(F)F)s2)CC1.
What is the InChIKey of 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is FIMWAKPEWMTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone?
1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 432.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(5-chloro-2-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 44589733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).