(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane

C18H38N4O2 — CID 178062630

IUPAC(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane
SMILESCC.CC.CCN1CCN(C(=O)CC/C(N)=C/NCC(C)=O)CC1
InChIInChI=1S/C14H26N4O2.2C2H6/c1-3-17-6-8-18(9-7-17)14(20)5-4-13(15)11-16-10-12(2)19;2*1-2/h11,16H,3-10,15H2,1-2H3;2*1-2H3/b13-11-;;
InChIKeyAONRAIYUOAKUHM-UYILYQNDSA-N
MW342.53 g/mol
LogP1.96
Rot. Bonds7

About (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane

(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane (PubChem CID 178062630) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane.

Molecular Properties

Compound Name(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane
PubChem CID178062630
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane
SMILESCC.CC.CCN1CCN(C(=O)CC/C(N)=C/NCC(C)=O)CC1
InChIInChI=1S/C14H26N4O2.2C2H6/c1-3-17-6-8-18(9-7-17)14(20)5-4-13(15)11-16-10-12(2)19;2*1-2/h11,16H,3-10,15H2,1-2H3;2*1-2H3/b13-11-;;
InChIKeyAONRAIYUOAKUHM-UYILYQNDSA-N
XLogP1.96
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;molecular hydrogen
CID 142558292
(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide
CID 166765607
ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
CID 178062628
(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
CID 142558293
(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
CID 178062629
(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one
CID 178062631

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane?
The IUPAC name of (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane (CID 178062630) is (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane.
What is the SMILES notation for (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane?
The canonical SMILES for (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane is CC.CC.CCN1CCN(C(=O)CC/C(N)=C/NCC(C)=O)CC1.
What is the InChIKey of (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane?
The InChIKey is AONRAIYUOAKUHM-UYILYQNDSA-N. The full InChI is InChI=1S/C14H26N4O2.2C2H6/c1-3-17-6-8-18(9-7-17)14(20)5-4-13(15)11-16-10-12(2)19;2*1-2/h11,16H,3-10,15H2,1-2H3;2*1-2H3/b13-11-;;.
What are the key properties of (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane?
(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane has a molecular weight of 342.53 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane is sourced from PubChem (CID 178062630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).