1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone

C30H25Cl3N2O — CID 59261795

IUPAC1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C30H25Cl3N2O/c31-25-12-10-24(11-13-25)29-20-34(16-17-35(29)28-15-14-26(32)19-27(28)33)30(36)18-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-15,19,29H,16-18,20H2
InChIKeyPKHPDVRZCMQOTE-UHFFFAOYSA-N
MW535.90 g/mol
LogP7.95
Rot. Bonds5

About 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone

1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 59261795) has the molecular formula C30H25Cl3N2O and a molecular weight of 535.90 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
PubChem CID59261795
Molecular FormulaC30H25Cl3N2O
Molecular Weight535.90 g/mol
Exact Mass534.10
IUPAC Name1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C30H25Cl3N2O/c31-25-12-10-24(11-13-25)29-20-34(16-17-35(29)28-15-14-26(32)19-27(28)33)30(36)18-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-15,19,29H,16-18,20H2
InChIKeyPKHPDVRZCMQOTE-UHFFFAOYSA-N
XLogP7.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.90
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 59261689
2-(3-chloro-4-hydroxyphenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261888
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 59261653
2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261898
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 59261643
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 59262054
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanone
CID 160808011
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]phenyl]ethanone
CID 143238032
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
CID 71176016

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone (CID 59261795) is 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is PKHPDVRZCMQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl3N2O/c31-25-12-10-24(11-13-25)29-20-34(16-17-35(29)28-15-14-26(32)19-27(28)33)30(36)18-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-15,19,29H,16-18,20H2.
What are the key properties of 1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone?
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 535.90 g/mol, XLogP of 7.95, 5 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-(4-phenylphenyl)ethanone is sourced from PubChem (CID 59261795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).