2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one

C14H24N2O — CID 123354087

IUPAC2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one
SMILESCC=CC(=CC)C(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C14H24N2O/c1-5-8-13(6-2)14(17)16-10-9-15(7-3)12(4)11-16/h5-6,8,12H,7,9-11H2,1-4H3
InChIKeyGVOAZHABIHJVOC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds3

About 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one

2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one (PubChem CID 123354087) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one.

Molecular Properties

Compound Name2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one
PubChem CID123354087
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one
SMILESCC=CC(=CC)C(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C14H24N2O/c1-5-8-13(6-2)14(17)16-10-9-15(7-3)12(4)11-16/h5-6,8,12H,7,9-11H2,1-4H3
InChIKeyGVOAZHABIHJVOC-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rel-(+)-(2E,4E)-1-((2R,5S)-2,4,5-Trimethyl-1-piperazinyl)-2,4-hexadien-1-one
CID 15939563
4-(4-Ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 39990974
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
(2Z,3E)-3-chloro-2-ethylidene-1-[(2S)-4-[(3Z,5E)-5-fluorohepta-3,5-dienyl]-2-methylpiperazin-1-yl]-5-methylhexa-3,5-dien-1-one
CID 137505655
(2E,4E,6E)-7-fluoro-4-[(Z)-prop-1-enyl]-1-(4-propylpiperazin-1-yl)hepta-2,4,6-trien-1-one
CID 142202286
1-[4-acetyl-3-[(3Z)-2-fluoropenta-1,3-dien-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 176676800
(2E,4Z)-1-(4-methylpiperazin-1-yl)-4-(3,3,3-trifluoroprop-1-en-2-yl)hepta-2,4,6-trien-1-one
CID 177186551
1-[(2e,4e)-2,4-Hexadienoyl]-2,4,5-trimethylpiperazine
CID 20846902
Magnesium;(4-ethylpiperazin-1-yl)-phenylmethanone;chloride
CID 134860057
dilithium;carbanide;copper(1+);N,N-di(propan-2-yl)benzamide;cyanide
CID 139263470
Nigragilline
CID 6442375

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one?
The IUPAC name of 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one (CID 123354087) is 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one.
What is the SMILES notation for 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one?
The canonical SMILES for 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one is CC=CC(=CC)C(=O)N1CCN(CC)C(C)C1.
What is the InChIKey of 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one?
The InChIKey is GVOAZHABIHJVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-8-13(6-2)14(17)16-10-9-15(7-3)12(4)11-16/h5-6,8,12H,7,9-11H2,1-4H3.
What are the key properties of 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one?
2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one has a molecular weight of 236.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-(4-ethyl-3-methylpiperazin-1-yl)pent-3-en-1-one is sourced from PubChem (CID 123354087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).