[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone

C15H13Cl3N2OS — CID 110190687

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone
SMILESO=C(c1cc(Cl)c(Cl)s1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H13Cl3N2OS/c16-10-3-1-2-4-12(10)19-5-7-20(8-6-19)15(21)13-9-11(17)14(18)22-13/h1-4,9H,5-8H2
InChIKeyAVCRGIDCEZANFU-UHFFFAOYSA-N
MW375.71 g/mol
LogP4.67
Rot. Bonds2

About [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone

[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone (PubChem CID 110190687) has the molecular formula C15H13Cl3N2OS and a molecular weight of 375.71 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone
PubChem CID110190687
Molecular FormulaC15H13Cl3N2OS
Molecular Weight375.71 g/mol
Exact Mass373.98
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone
SMILESO=C(c1cc(Cl)c(Cl)s1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C15H13Cl3N2OS/c16-10-3-1-2-4-12(10)19-5-7-20(8-6-19)15(21)13-9-11(17)14(18)22-13/h1-4,9H,5-8H2
InChIKeyAVCRGIDCEZANFU-UHFFFAOYSA-N
XLogP4.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.71
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone (CID 110190687) is [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone is O=C(c1cc(Cl)c(Cl)s1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone?
The InChIKey is AVCRGIDCEZANFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2OS/c16-10-3-1-2-4-12(10)19-5-7-20(8-6-19)15(21)13-9-11(17)14(18)22-13/h1-4,9H,5-8H2.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone has a molecular weight of 375.71 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone is sourced from PubChem (CID 110190687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).