3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one

C12H16N2O2 — CID 963828

IUPAC3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
SMILESCN1CCN(C(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(15)5-4-11-3-2-10-16-11/h2-5,10H,6-9H2,1H3
InChIKeyNGBCZGKRNIDIRG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds2

About 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one

3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 963828) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
PubChem CID963828
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
SMILESCN1CCN(C(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(15)5-4-11-3-2-10-16-11/h2-5,10H,6-9H2,1H3
InChIKeyNGBCZGKRNIDIRG-UHFFFAOYSA-N
XLogP1.07
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 121054109
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
(E)-3-(furan-2-yl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 113282924
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643
(Z)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 2166410
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 33014305
3-(furan-2-yl)-1-[4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 171136537
3-(furan-2-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 78288616

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one (CID 963828) is 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one is CN1CCN(C(=O)C=Cc2ccco2)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is NGBCZGKRNIDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(15)5-4-11-3-2-10-16-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one?
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 220.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 963828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).