(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one

C20H23N3O — CID 110297208

IUPAC(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-2-17(18-8-4-3-5-9-18)16-20(24)23-14-12-22(13-15-23)19-10-6-7-11-21-19/h3-11,16H,2,12-15H2,1H3/b17-16+
InChIKeyVXCHSIDPJRXUIC-WUKNDPDISA-N
MW321.42 g/mol
LogP3.22
Rot. Bonds4

About (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one

(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one (PubChem CID 110297208) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
PubChem CID110297208
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-2-17(18-8-4-3-5-9-18)16-20(24)23-14-12-22(13-15-23)19-10-6-7-11-21-19/h3-11,16H,2,12-15H2,1H3/b17-16+
InChIKeyVXCHSIDPJRXUIC-WUKNDPDISA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.22
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

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(2E)-2-benzylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 110298772
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
4,4,4-trifluoro-1-(4-pyridin-2-ylpiperazin-1-yl)but-2-en-1-one
CID 68640623
(E)-3-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 966115
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one (CID 110297208) is (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one is CC/C(=C\C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one?
The InChIKey is VXCHSIDPJRXUIC-WUKNDPDISA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-17(18-8-4-3-5-9-18)16-20(24)23-14-12-22(13-15-23)19-10-6-7-11-21-19/h3-11,16H,2,12-15H2,1H3/b17-16+.
What are the key properties of (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one?
(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one is sourced from PubChem (CID 110297208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).