[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H14Cl2N2OS — CID 113080481

IUPAC[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H14Cl2N2OS/c16-11-3-1-4-12(14(11)17)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2
InChIKeyCNSVDMMPXAVTKU-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.02
Rot. Bonds2

About [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 113080481) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID113080481
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H14Cl2N2OS/c16-11-3-1-4-12(14(11)17)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2
InChIKeyCNSVDMMPXAVTKU-UHFFFAOYSA-N
XLogP4.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511220
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
[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
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 2958911
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4295836

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 113080481) is [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is CNSVDMMPXAVTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-11-3-1-4-12(14(11)17)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2.
What are the key properties of [4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 341.26 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-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 113080481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).