(E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide

C10H18N4O — CID 143791590

IUPAC(E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide
SMILESC=CNC(=O)/C=C(\C)N1CCN(N)CC1
InChIInChI=1S/C10H18N4O/c1-3-12-10(15)8-9(2)13-4-6-14(11)7-5-13/h3,8H,1,4-7,11H2,2H3,(H,12,15)/b9-8+
InChIKeyZZWQSFFDNXGHFY-CMDGGOBGSA-N
MW210.28 g/mol
LogP-0.36
Rot. Bonds3

About (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide

(E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide (PubChem CID 143791590) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide
PubChem CID143791590
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide
SMILESC=CNC(=O)/C=C(\C)N1CCN(N)CC1
InChIInChI=1S/C10H18N4O/c1-3-12-10(15)8-9(2)13-4-6-14(11)7-5-13/h3,8H,1,4-7,11H2,2H3,(H,12,15)/b9-8+
InChIKeyZZWQSFFDNXGHFY-CMDGGOBGSA-N
XLogP-0.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide?
The IUPAC name of (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide (CID 143791590) is (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide.
What is the SMILES notation for (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide?
The canonical SMILES for (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide is C=CNC(=O)/C=C(\C)N1CCN(N)CC1.
What is the InChIKey of (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide?
The InChIKey is ZZWQSFFDNXGHFY-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-12-10(15)8-9(2)13-4-6-14(11)7-5-13/h3,8H,1,4-7,11H2,2H3,(H,12,15)/b9-8+.
What are the key properties of (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide?
(E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide has a molecular weight of 210.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminopiperazin-1-yl)-N-ethenylbut-2-enamide is sourced from PubChem (CID 143791590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).