[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H14ClFN2OS — CID 113076911

IUPAC[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H14ClFN2OS/c16-12-10-11(3-4-13(12)17)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h1-4,9-10H,5-8H2
InChIKeyRNPCMHAWUBMBEY-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.50
Rot. Bonds2

About [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 113076911) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID113076911
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H14ClFN2OS/c16-12-10-11(3-4-13(12)17)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h1-4,9-10H,5-8H2
InChIKeyRNPCMHAWUBMBEY-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 50879793
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
3-(4-chlorophenyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 3484854
[4-(4-isocyanatophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 169354491
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 86780452

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 113076911) is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is RNPCMHAWUBMBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-12-10-11(3-4-13(12)17)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h1-4,9-10H,5-8H2.
What are the key properties of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 324.81 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 113076911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).