(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one

C16H20N2O — CID 39256784

IUPAC(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one
SMILESCC(/C=C/C(=O)N1CCNCC1)=C\c1ccccc1
InChIInChI=1S/C16H20N2O/c1-14(13-15-5-3-2-4-6-15)7-8-16(19)18-11-9-17-10-12-18/h2-8,13,17H,9-12H2,1H3/b8-7+,14-13+
InChIKeyZMJWUNARXUEDQB-SCCLZRITSA-N
MW256.35 g/mol
LogP2.08
Rot. Bonds3

About (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one

(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one (PubChem CID 39256784) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one
PubChem CID39256784
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one
SMILESCC(/C=C/C(=O)N1CCNCC1)=C\c1ccccc1
InChIInChI=1S/C16H20N2O/c1-14(13-15-5-3-2-4-6-15)7-8-16(19)18-11-9-17-10-12-18/h2-8,13,17H,9-12H2,1H3/b8-7+,14-13+
InChIKeyZMJWUNARXUEDQB-SCCLZRITSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
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)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
(E)-3-(3-aminophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 115342869
1-piperazin-1-ylprop-2-en-1-one;toluene
CID 160562022
3-(3-chlorophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 54135862
(E)-1-(2-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione
CID 171527798
N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
CID 118026213
1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 54096458
ethane;(E)-1-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione
CID 177039562
3-(2-fluorophenyl)-1-piperazin-1-ylbut-2-en-1-one
CID 126781789
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one (CID 39256784) is (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one is CC(/C=C/C(=O)N1CCNCC1)=C\c1ccccc1.
What is the InChIKey of (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one?
The InChIKey is ZMJWUNARXUEDQB-SCCLZRITSA-N. The full InChI is InChI=1S/C16H20N2O/c1-14(13-15-5-3-2-4-6-15)7-8-16(19)18-11-9-17-10-12-18/h2-8,13,17H,9-12H2,1H3/b8-7+,14-13+.
What are the key properties of (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one?
(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 39256784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).