1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one

C25H23Cl3N2O — CID 59261926

IUPAC1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H23Cl3N2O/c1-17(18-5-3-2-4-6-18)25(31)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h2-12,15,17,24H,13-14,16H2,1H3
InChIKeyGZTLPJJKABAJQL-UHFFFAOYSA-N
MW473.83 g/mol
LogP6.84
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one

1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 59261926) has the molecular formula C25H23Cl3N2O and a molecular weight of 473.83 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID59261926
Molecular FormulaC25H23Cl3N2O
Molecular Weight473.83 g/mol
Exact Mass472.09
IUPAC Name1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H23Cl3N2O/c1-17(18-5-3-2-4-6-18)25(31)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h2-12,15,17,24H,13-14,16H2,1H3
InChIKeyGZTLPJJKABAJQL-UHFFFAOYSA-N
XLogP6.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 59261926) is 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is GZTLPJJKABAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O/c1-17(18-5-3-2-4-6-18)25(31)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h2-12,15,17,24H,13-14,16H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 473.83 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 59261926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).