(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one

C22H22ClNO — CID 19560944

IUPAC(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
SMILESO=C(/C=C/C(Cl)=C/c1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H22ClNO/c23-20(17-18-7-3-1-4-8-18)11-14-22(25)19-9-12-21(13-10-19)24-15-5-2-6-16-24/h1,3-4,7-14,17H,2,5-6,15-16H2/b14-11+,20-17-
InChIKeyLCPAMCXOVQXFQK-DBAYFNDFSA-N
MW351.88 g/mol
LogP5.70
Rot. Bonds5

About (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one

(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one (PubChem CID 19560944) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
PubChem CID19560944
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
SMILESO=C(/C=C/C(Cl)=C/c1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H22ClNO/c23-20(17-18-7-3-1-4-8-18)11-14-22(25)19-9-12-21(13-10-19)24-15-5-2-6-16-24/h1,3-4,7-14,17H,2,5-6,15-16H2/b14-11+,20-17-
InChIKeyLCPAMCXOVQXFQK-DBAYFNDFSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 55838600
(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
CID 19558961
(E)-3-(2-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560783
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 52771916
(E)-3-(5-benzylthiophen-2-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560916
2-benzoyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 3977368
carbamic acid;1-phenylpiperidine
CID 161473217
(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19560920
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
(E)-1-pyridin-4-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 6108529
(E)-1-(4-methylsulfanylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 155385825
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one (CID 19560944) is (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one is O=C(/C=C/C(Cl)=C/c1ccccc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
The InChIKey is LCPAMCXOVQXFQK-DBAYFNDFSA-N. The full InChI is InChI=1S/C22H22ClNO/c23-20(17-18-7-3-1-4-8-18)11-14-22(25)19-9-12-21(13-10-19)24-15-5-2-6-16-24/h1,3-4,7-14,17H,2,5-6,15-16H2/b14-11+,20-17-.
What are the key properties of (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one?
(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one has a molecular weight of 351.88 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 19560944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).