3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one

C21H26N4O — CID 24969545

IUPAC3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one
SMILESC=CCn1ccnc(N2CCN(C/C(C)=C/c3ccccc3)CC2)c1=O
InChIInChI=1S/C21H26N4O/c1-3-10-25-11-9-22-20(21(25)26)24-14-12-23(13-15-24)17-18(2)16-19-7-5-4-6-8-19/h3-9,11,16H,1,10,12-15,17H2,2H3/b18-16+
InChIKeyVBZAMBRRGXJHLN-FBMGVBCBSA-N
MW350.47 g/mol
LogP2.65
Rot. Bonds6

About 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one

3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one (PubChem CID 24969545) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one
PubChem CID24969545
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one
SMILESC=CCn1ccnc(N2CCN(C/C(C)=C/c3ccccc3)CC2)c1=O
InChIInChI=1S/C21H26N4O/c1-3-10-25-11-9-22-20(21(25)26)24-14-12-23(13-15-24)17-18(2)16-19-7-5-4-6-8-19/h3-9,11,16H,1,10,12-15,17H2,2H3/b18-16+
InChIKeyVBZAMBRRGXJHLN-FBMGVBCBSA-N
XLogP2.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one?
The IUPAC name of 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one (CID 24969545) is 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one?
The canonical SMILES for 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one is C=CCn1ccnc(N2CCN(C/C(C)=C/c3ccccc3)CC2)c1=O.
What is the InChIKey of 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one?
The InChIKey is VBZAMBRRGXJHLN-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-10-25-11-9-22-20(21(25)26)24-14-12-23(13-15-24)17-18(2)16-19-7-5-4-6-8-19/h3-9,11,16H,1,10,12-15,17H2,2H3/b18-16+.
What are the key properties of 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one?
3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one has a molecular weight of 350.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-1-prop-2-enylpyrazin-2-one is sourced from PubChem (CID 24969545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).