ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one

C15H30N4O2 — CID 178062628

IUPACethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
SMILESCC.CN/C(=C\NCC(C)=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H24N4O2.C2H6/c1-11(18)9-16-10-12(14-2)3-4-13(19)17-7-5-15-6-8-17;1-2/h10,14-16H,3-9H2,1-2H3;1-2H3/b12-10-;
InChIKeyNSMDXNVFVLIBBV-BBJSDXRSSA-N
MW298.43 g/mol
LogP0.46
Rot. Bonds7

About ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one

ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one (PubChem CID 178062628) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
PubChem CID178062628
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nameethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
SMILESCC.CN/C(=C\NCC(C)=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H24N4O2.C2H6/c1-11(18)9-16-10-12(14-2)3-4-13(19)17-7-5-15-6-8-17;1-2/h10,14-16H,3-9H2,1-2H3;1-2H3/b12-10-;
InChIKeyNSMDXNVFVLIBBV-BBJSDXRSSA-N
XLogP0.46
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one with MolForge

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Launch Full Analysis

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
(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
(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 ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
The IUPAC name of ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one (CID 178062628) is ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one.
What is the SMILES notation for ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
The canonical SMILES for ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one is CC.CN/C(=C\NCC(C)=O)CCC(=O)N1CCNCC1.
What is the InChIKey of ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
The InChIKey is NSMDXNVFVLIBBV-BBJSDXRSSA-N. The full InChI is InChI=1S/C13H24N4O2.C2H6/c1-11(18)9-16-10-12(14-2)3-4-13(19)17-7-5-15-6-8-17;1-2/h10,14-16H,3-9H2,1-2H3;1-2H3/b12-10-;.
What are the key properties of ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one has a molecular weight of 298.43 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one is sourced from PubChem (CID 178062628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).