(E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one

C20H22N2O4 — CID 5371033

IUPAC(E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2ccco2)C(C)CN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C20H22N2O4/c1-15-13-22(20(24)10-8-18-6-4-12-26-18)16(2)14-21(15)19(23)9-7-17-5-3-11-25-17/h3-12,15-16H,13-14H2,1-2H3/b9-7+,10-8+
InChIKeyWCOOAGYNHBLAAJ-FIFLTTCUSA-N
MW354.41 g/mol
LogP3.05
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 5371033) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
PubChem CID5371033
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2ccco2)C(C)CN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C20H22N2O4/c1-15-13-22(20(24)10-8-18-6-4-12-26-18)16(2)14-21(15)19(23)9-7-17-5-3-11-25-17/h3-12,15-16H,13-14H2,1-2H3/b9-7+,10-8+
InChIKeyWCOOAGYNHBLAAJ-FIFLTTCUSA-N
XLogP3.05
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

(2E)-1-[4-((2E)-3-phenylprop-2-enyl)piperazinyl]-3-(2-furyl)prop-2-en-1-one
CID 878291
1-Ethyl-4-[3-(5-methyl-2-furyl)acryloyl]piperazine
CID 896582
2-[4-[(2E)-3-(2-furyl)-2-propen-1-yl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16189227
4-Piperidinone, 3,5-bis(2-furanylmethylene)-1-methyl-
CID 717827
N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis[3-(5-methyl-2-furyl)acrylamide]
CID 5737031
(3E,5E)-1-dodecanoyl-3,5-bis(furan-2-ylmethylidene)piperidin-4-one
CID 101896962
3-(2-Furanyl)-1-(4-morpholinyl)-2-propen-1-one
CID 251283
3,5-Bis(furan-2-ylmethylene)-1-methylpiperidin-4-one
CID 1564142
(2E)-N-[4-((2E)-3-(2-furyl)prop-2-enoylamino)butyl]-3-(2-furyl)prop-2-enamide
CID 2293004
(+-)-N5,N5-Diethyl-N1,N1-dipropyl-2-((3-(2-furanyl)-1-oxo-2-propyl)amino)pentanediamide
CID 6445012
(+-)-N1,N1-Dimethyl-N5,N5-dipropyl-2-((3-(2-furanyl)-1-oxopropenyl)amino)pentanediamide
CID 6445013
(+-)-2-((3-(2-Furanyl)-1-oxo-2-propenyl)amino)-N,N,N',N'-tetrapropylpentanediamide
CID 6445014

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one (CID 5371033) is (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one is CC1CN(C(=O)/C=C/c2ccco2)C(C)CN1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?
The InChIKey is WCOOAGYNHBLAAJ-FIFLTTCUSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-13-22(20(24)10-8-18-6-4-12-26-18)16(2)14-21(15)19(23)9-7-17-5-3-11-25-17/h3-12,15-16H,13-14H2,1-2H3/b9-7+,10-8+.
What are the key properties of (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one has a molecular weight of 354.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 5371033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).