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

C18H20N2OS — CID 752925

IUPAC[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/b8-4+
InChIKeyAMEOHHNHJQAZNI-XBXARRHUSA-N
MW312.44 g/mol
LogP3.22
Rot. Bonds4

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

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 752925) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID752925
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/b8-4+
InChIKeyAMEOHHNHJQAZNI-XBXARRHUSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 752925) is [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is AMEOHHNHJQAZNI-XBXARRHUSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/b8-4+.
What are the key properties of [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 312.44 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 [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 752925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).