[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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Related Compounds

[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 46651235
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
(3-chloro-4,5-dimethoxyphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 9082279
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 77078612
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 131929401
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409

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).