6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one

C27H30N4O3 — CID 121063773

IUPAC6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-34-24-12-10-23(11-13-24)25-19-26(32)31(21-28-25)20-27(33)30-17-15-29(16-18-30)14-6-9-22-7-4-3-5-8-22/h3-13,19,21H,2,14-18,20H2,1H3/b9-6+
InChIKeyXOAWVDAXMILRMM-RMKNXTFCSA-N
MW458.56 g/mol
LogP3.17
Rot. Bonds8

About 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one

6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 121063773) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one
PubChem CID121063773
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-34-24-12-10-23(11-13-24)25-19-26(32)31(21-28-25)20-27(33)30-17-15-29(16-18-30)14-6-9-22-7-4-3-5-8-22/h3-13,19,21H,2,14-18,20H2,1H3/b9-6+
InChIKeyXOAWVDAXMILRMM-RMKNXTFCSA-N
XLogP3.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
4-ethoxy-N-methyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 19798438
[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4023539
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
3-[2-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
CID 121107071
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565235
[3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6093083
4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]benzonitrile
CID 2435532
3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 71704392
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
3-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121059791

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one (CID 121063773) is 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one is CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is XOAWVDAXMILRMM-RMKNXTFCSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-2-34-24-12-10-23(11-13-24)25-19-26(32)31(21-28-25)20-27(33)30-17-15-29(16-18-30)14-6-9-22-7-4-3-5-8-22/h3-13,19,21H,2,14-18,20H2,1H3/b9-6+.
What are the key properties of 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one?
6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 458.56 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 121063773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).