[4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H14Cl2N2OS — CID 6487048

IUPAC[4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H14Cl2N2OS/c16-11-3-4-12(17)13(10-11)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h1-4,9-10H,5-8H2
InChIKeySXHVDWQQGBQZCO-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.02
Rot. Bonds2

About [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 6487048) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID6487048
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H14Cl2N2OS/c16-11-3-4-12(17)13(10-11)18-5-7-19(8-6-18)15(20)14-2-1-9-21-14/h1-4,9-10H,5-8H2
InChIKeySXHVDWQQGBQZCO-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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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 6487048) is [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SXHVDWQQGBQZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-11-3-4-12(17)13(10-11)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-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2,5-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-(2,5-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 6487048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).