(E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one

C20H23N3O3 — CID 67355599

IUPAC(E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one
SMILESCc1cc(/C=C/C(=O)N2CCNCC2)cc(C)c1Oc1ccc(O)cn1
InChIInChI=1S/C20H23N3O3/c1-14-11-16(3-6-19(25)23-9-7-21-8-10-23)12-15(2)20(14)26-18-5-4-17(24)13-22-18/h3-6,11-13,21,24H,7-10H2,1-2H3/b6-3+
InChIKeyUVLFDMAPSZOWEO-ZZXKWVIFSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds4

About (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one

(E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one (PubChem CID 67355599) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one
PubChem CID67355599
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one
SMILESCc1cc(/C=C/C(=O)N2CCNCC2)cc(C)c1Oc1ccc(O)cn1
InChIInChI=1S/C20H23N3O3/c1-14-11-16(3-6-19(25)23-9-7-21-8-10-23)12-15(2)20(14)26-18-5-4-17(24)13-22-18/h3-6,11-13,21,24H,7-10H2,1-2H3/b6-3+
InChIKeyUVLFDMAPSZOWEO-ZZXKWVIFSA-N
XLogP2.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one
CID 67355604
4-[[6-[4-[(E)-3-[4-[[4-[(4-chlorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-3-pyridinyl]oxymethyl]benzonitrile;hydrochloride
CID 67327987
4-[[6-[4-[(E)-3-[4-[[4-[2-(3,5-dimethylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-3-pyridinyl]oxymethyl]benzonitrile;hydrochloride
CID 89123183
4-[[6-[2-chloro-6-methyl-4-[(E)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]-3-pyridinyl]oxymethyl]benzonitrile
CID 67328146
(E)-3-[3,5-dimethyl-4-[[5-[(4-methylphenyl)methoxy]-2-pyridinyl]oxy]phenyl]-1-[4-[[4-[2-(4-fluorophenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one;hydrochloride
CID 89123089
3-[3,5-dimethyl-4-[[5-[(4-methylphenyl)methoxy]-2-pyridinyl]oxy]phenyl]-1-[4-[[4-[2-(4-fluorophenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one;hydrochloride
CID 173483817
(E)-3-[3,5-dimethyl-4-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]oxy]phenyl]-1-[4-[[4-[2-(4-fluorophenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 89123389
4-[[6-[4-[(E)-3-[2-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-1,2,5-oxadiazepan-5-yl]-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-3-pyridinyl]oxymethyl]benzonitrile
CID 53361080
(E)-3-[3-chloro-5-methyl-4-[[5-[(4-methylphenyl)methoxy]-2-pyridinyl]oxy]phenyl]-1-[4-[[4-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 89123223
3-[4-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]oxy]-3,5-dimethylphenyl]-1-[4-[[4-(3-methoxyprop-1-enyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 173483775
3-[3-chloro-4-[[5-[2-(3,4-dichlorophenyl)ethoxy]-2-pyridinyl]oxy]-5-methylphenyl]-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one;hydrochloride
CID 173483947
1-[4-[[4-[3-(4-fluorophenoxy)prop-1-enyl]phenyl]methyl]piperazin-1-yl]-3-[4-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]oxy]-3,5-dimethylphenyl]prop-2-en-1-one
CID 173484052

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one (CID 67355599) is (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one is Cc1cc(/C=C/C(=O)N2CCNCC2)cc(C)c1Oc1ccc(O)cn1.
What is the InChIKey of (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one?
The InChIKey is UVLFDMAPSZOWEO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-11-16(3-6-19(25)23-9-7-21-8-10-23)12-15(2)20(14)26-18-5-4-17(24)13-22-18/h3-6,11-13,21,24H,7-10H2,1-2H3/b6-3+.
What are the key properties of (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one?
(E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(5-hydroxy-2-pyridinyl)oxy]-3,5-dimethylphenyl]-1-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 67355599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).