[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone

C18H20N4O — CID 2105552

IUPAC[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N4O/c23-18(17-15-19-8-9-20-17)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
InChIKeyUTADPZBYVQGTRD-QPJJXVBHSA-N
MW308.38 g/mol
LogP1.95
Rot. Bonds4

About [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 2105552) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID2105552
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N4O/c23-18(17-15-19-8-9-20-17)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
InChIKeyUTADPZBYVQGTRD-QPJJXVBHSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone (CID 2105552) is [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UTADPZBYVQGTRD-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(17-15-19-8-9-20-17)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+.
What are the key properties of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 308.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 2105552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).