5,6-bis(4-chlorophenyl)piperazin-2-one

C16H14Cl2N2O — CID 78034573

IUPAC5,6-bis(4-chlorophenyl)piperazin-2-one
SMILESO=C1CNC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H14Cl2N2O/c17-12-5-1-10(2-6-12)15-16(20-14(21)9-19-15)11-3-7-13(18)8-4-11/h1-8,15-16,19H,9H2,(H,20,21)
InChIKeyBLGMTWKVLULGKK-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.50
Rot. Bonds2

About 5,6-bis(4-chlorophenyl)piperazin-2-one

5,6-bis(4-chlorophenyl)piperazin-2-one (PubChem CID 78034573) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)piperazin-2-one
PubChem CID78034573
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5,6-bis(4-chlorophenyl)piperazin-2-one
SMILESO=C1CNC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H14Cl2N2O/c17-12-5-1-10(2-6-12)15-16(20-14(21)9-19-15)11-3-7-13(18)8-4-11/h1-8,15-16,19H,9H2,(H,20,21)
InChIKeyBLGMTWKVLULGKK-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
2,4,6,8-tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 4050078
(1S,2R,4S,5S)-2,4-bis(4-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 23376315
2-(4-chlorophenyl)-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
CID 83249338
2-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazolidin-4-one
CID 83243667
(2S,3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 7141550
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 17389652
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 17389651
2-(3-chloro-4-hydroxyphenyl)imidazolidin-4-one
CID 127013359
6-(4-chlorophenyl)diazinan-3-one
CID 139782184
4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
CID 81157204

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)piperazin-2-one?
The IUPAC name of 5,6-bis(4-chlorophenyl)piperazin-2-one (CID 78034573) is 5,6-bis(4-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)piperazin-2-one?
The canonical SMILES for 5,6-bis(4-chlorophenyl)piperazin-2-one is O=C1CNC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)piperazin-2-one?
The InChIKey is BLGMTWKVLULGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-12-5-1-10(2-6-12)15-16(20-14(21)9-19-15)11-3-7-13(18)8-4-11/h1-8,15-16,19H,9H2,(H,20,21).
What are the key properties of 5,6-bis(4-chlorophenyl)piperazin-2-one?
5,6-bis(4-chlorophenyl)piperazin-2-one has a molecular weight of 321.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 78034573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).