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

C13H24N4O2 — CID 178062629

IUPAC(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
SMILESCN/C(=C\NCC(C)=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H24N4O2/c1-11(18)9-16-10-12(14-2)3-4-13(19)17-7-5-15-6-8-17/h10,14-16H,3-9H2,1-2H3/b12-10-
InChIKeySRNKCVCHJBQHDD-BENRWUELSA-N
MW268.36 g/mol
LogP-0.56
Rot. Bonds7

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

(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one (PubChem CID 178062629) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
PubChem CID178062629
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one
SMILESCN/C(=C\NCC(C)=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H24N4O2/c1-11(18)9-16-10-12(14-2)3-4-13(19)17-7-5-15-6-8-17/h10,14-16H,3-9H2,1-2H3/b12-10-
InChIKeySRNKCVCHJBQHDD-BENRWUELSA-N
XLogP-0.56
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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-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-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
The IUPAC name of (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one (CID 178062629) is (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one.
What is the SMILES notation for (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
The canonical SMILES for (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one is CN/C(=C\NCC(C)=O)CCC(=O)N1CCNCC1.
What is the InChIKey of (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
The InChIKey is SRNKCVCHJBQHDD-BENRWUELSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-11(18)9-16-10-12(14-2)3-4-13(19)17-7-5-15-6-8-17/h10,14-16H,3-9H2,1-2H3/b12-10-.
What are the key properties of (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one?
(Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one has a molecular weight of 268.36 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methylamino)-5-(2-oxopropylamino)-1-piperazin-1-ylpent-4-en-1-one is sourced from PubChem (CID 178062629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).