(E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

C26H24Cl2N2O — CID 143237622

IUPAC(E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl2N2O/c1-19-17-23(28)12-13-24(19)30-16-15-29(18-25(30)21-8-10-22(27)11-9-21)26(31)14-7-20-5-3-2-4-6-20/h2-14,17,25H,15-16,18H2,1H3/b14-7+
InChIKeyIIEVSBHTCIYQSD-VGOFMYFVSA-N
MW451.40 g/mol
LogP6.41
Rot. Bonds4

About (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 143237622) has the molecular formula C26H24Cl2N2O and a molecular weight of 451.40 g/mol. Its IUPAC name is (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID143237622
Molecular FormulaC26H24Cl2N2O
Molecular Weight451.40 g/mol
Exact Mass450.13
IUPAC Name(E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl2N2O/c1-19-17-23(28)12-13-24(19)30-16-15-29(18-25(30)21-8-10-22(27)11-9-21)26(31)14-7-20-5-3-2-4-6-20/h2-14,17,25H,15-16,18H2,1H3/b14-7+
InChIKeyIIEVSBHTCIYQSD-VGOFMYFVSA-N
XLogP6.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 59261953
(E)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 59261866
(E)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
CID 59261845
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 59261795
(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]-3-methyl-2-phenylbutan-1-one
CID 59262015
3-[4-(2-amino-4-chlorophenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanoic acid
CID 166034025
1-[4-(4-chloro-2-isocyanatophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 169354415
1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 5216035
(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 8910877
(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 33137658
2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone
CID 163854147

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one (CID 143237622) is (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is Cc1cc(Cl)ccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is IIEVSBHTCIYQSD-VGOFMYFVSA-N. The full InChI is InChI=1S/C26H24Cl2N2O/c1-19-17-23(28)12-13-24(19)30-16-15-29(18-25(30)21-8-10-22(27)11-9-21)26(31)14-7-20-5-3-2-4-6-20/h2-14,17,25H,15-16,18H2,1H3/b14-7+.
What are the key properties of (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 451.40 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 143237622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).