furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C18H20N2O2 — CID 18104739

IUPACfuran-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2/c21-18(17-8-14-22-15-17)20-12-10-19(11-13-20)9-4-7-16-5-2-1-3-6-16/h1-8,14-15H,9-13H2/b7-4+
InChIKeyCDIFEAZEVAYGSF-QPJJXVBHSA-N
MW296.37 g/mol
LogP2.75
Rot. Bonds4

About furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 18104739) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID18104739
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namefuran-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2/c21-18(17-8-14-22-15-17)20-12-10-19(11-13-20)9-4-7-16-5-2-1-3-6-16/h1-8,14-15H,9-13H2/b7-4+
InChIKeyCDIFEAZEVAYGSF-QPJJXVBHSA-N
XLogP2.75
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 18104739) is furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is CDIFEAZEVAYGSF-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(17-8-14-22-15-17)20-12-10-19(11-13-20)9-4-7-16-5-2-1-3-6-16/h1-8,14-15H,9-13H2/b7-4+.
What are the key properties of furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 18104739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).