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

C14H26N4O2 — CID 178062631

IUPAC(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one
SMILESCCN1CCN(C(=O)CC/C(N)=C/NCC(C)=O)CC1
InChIInChI=1S/C14H26N4O2/c1-3-17-6-8-18(9-7-17)14(20)5-4-13(15)11-16-10-12(2)19/h11,16H,3-10,15H2,1-2H3/b13-11-
InChIKeyPIDHWOIEOUTQBO-QBFSEMIESA-N
MW282.39 g/mol
LogP-0.09
Rot. Bonds7

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

(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one (PubChem CID 178062631) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one.

Molecular Properties

Compound Name(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one
PubChem CID178062631
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one
SMILESCCN1CCN(C(=O)CC/C(N)=C/NCC(C)=O)CC1
InChIInChI=1S/C14H26N4O2/c1-3-17-6-8-18(9-7-17)14(20)5-4-13(15)11-16-10-12(2)19/h11,16H,3-10,15H2,1-2H3/b13-11-
InChIKeyPIDHWOIEOUTQBO-QBFSEMIESA-N
XLogP-0.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide
CID 20632774
(Z)-4-amino-N-butyl-5-[[2-(methylamino)-2-oxoethyl]amino]pent-4-enamide
CID 166765607
3,6-Bis(3-aminoprop-2-enyl)piperazine-2,5-dione
CID 173608864
ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
CID 178062628
(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one;ethane
CID 178062630
(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide
CID 157046634
(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
CID 178062629

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?
The IUPAC name of (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one (CID 178062631) is (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one.
What is the SMILES notation for (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one?
The canonical SMILES for (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one is 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?
The InChIKey is PIDHWOIEOUTQBO-QBFSEMIESA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-17-6-8-18(9-7-17)14(20)5-4-13(15)11-16-10-12(2)19/h11,16H,3-10,15H2,1-2H3/b13-11-.
What are the key properties of (Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one?
(Z)-4-amino-1-(4-ethylpiperazin-1-yl)-5-(2-oxopropylamino)pent-4-en-1-one has a molecular weight of 282.39 g/mol, XLogP of -0.09, 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 is sourced from PubChem (CID 178062631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).