(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone

C16H14Cl2N2O2S — CID 110802854

IUPAC(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H14Cl2N2O2S/c17-12-3-1-11(2-4-12)15(21)19-7-9-20(10-8-19)16(22)13-5-6-14(18)23-13/h1-6H,7-10H2
InChIKeyDUZWSNLYFZKGAP-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.65
Rot. Bonds2

About (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110802854) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110802854
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H14Cl2N2O2S/c17-12-3-1-11(2-4-12)15(21)19-7-9-20(10-8-19)16(22)13-5-6-14(18)23-13/h1-6H,7-10H2
InChIKeyDUZWSNLYFZKGAP-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
1,3-benzodioxol-5-yl-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 36886342
(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
CID 110815113
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 110815115
2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60693017
[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413228
[4-[1-(5-bromothiophene-2-carbonyl)-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 68510198
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43521993

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone (CID 110802854) is (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DUZWSNLYFZKGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c17-12-3-1-11(2-4-12)15(21)19-7-9-20(10-8-19)16(22)13-5-6-14(18)23-13/h1-6H,7-10H2.
What are the key properties of (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 369.27 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110802854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).