(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one

C19H24N2O3 — CID 139551801

IUPAC(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one
SMILESCCC(=O)N1CCN(C(=O)/C=C/C=C/c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H24N2O3/c1-3-18(22)20-12-14-21(15-13-20)19(23)7-5-4-6-16-8-10-17(24-2)11-9-16/h4-11H,3,12-15H2,1-2H3/b6-4+,7-5+
InChIKeyLOTIUDWNGKGWBA-YDFGWWAZSA-N
MW328.41 g/mol
LogP2.35
Rot. Bonds5

About (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one

(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one (PubChem CID 139551801) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one
PubChem CID139551801
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one
SMILESCCC(=O)N1CCN(C(=O)/C=C/C=C/c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H24N2O3/c1-3-18(22)20-12-14-21(15-13-20)19(23)7-5-4-6-16-8-10-17(24-2)11-9-16/h4-11H,3,12-15H2,1-2H3/b6-4+,7-5+
InChIKeyLOTIUDWNGKGWBA-YDFGWWAZSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-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

(2E,4E)-5-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551866
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid;hydrochloride
CID 20840061
tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 85437217
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
(E)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 60958280
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
CID 73153095
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 146567329
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6007464
(Z)-3-(4-methoxyphenyl)-N-[2-[4-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 92903724

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one (CID 139551801) is (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one is CCC(=O)N1CCN(C(=O)/C=C/C=C/c2ccc(OC)cc2)CC1.
What is the InChIKey of (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one?
The InChIKey is LOTIUDWNGKGWBA-YDFGWWAZSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-18(22)20-12-14-21(15-13-20)19(23)7-5-4-6-16-8-10-17(24-2)11-9-16/h4-11H,3,12-15H2,1-2H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one?
(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one has a molecular weight of 328.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one is sourced from PubChem (CID 139551801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).