(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one

C19H18Cl2N2O — CID 92903828

IUPAC(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c20-16-3-1-15(2-4-16)19(24)9-10-22-11-13-23(14-12-22)18-7-5-17(21)6-8-18/h1-10H,11-14H2/b10-9-
InChIKeyNXWBKXGHLQGSQE-KTKRTIGZSA-N
MW361.27 g/mol
LogP4.51
Rot. Bonds4

About (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one

(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 92903828) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID92903828
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC Name(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c20-16-3-1-15(2-4-16)19(24)9-10-22-11-13-23(14-12-22)18-7-5-17(21)6-8-18/h1-10H,11-14H2/b10-9-
InChIKeyNXWBKXGHLQGSQE-KTKRTIGZSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1046805
(E)-1-(4-chlorophenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 877875
1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 3291293
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
(E)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 6296932
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 4227514
(E)-3-(2-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one
CID 17404979
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 6111341
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one (CID 92903828) is (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one is O=C(/C=C\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is NXWBKXGHLQGSQE-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c20-16-3-1-15(2-4-16)19(24)9-10-22-11-13-23(14-12-22)18-7-5-17(21)6-8-18/h1-10H,11-14H2/b10-9-.
What are the key properties of (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one?
(Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 361.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 92903828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).