(E)-2-methyl-4-piperazin-1-ylpent-2-enamide

C10H19N3O — CID 90151523

IUPAC(E)-2-methyl-4-piperazin-1-ylpent-2-enamide
SMILESC/C(=C\C(C)N1CCNCC1)C(N)=O
InChIInChI=1S/C10H19N3O/c1-8(10(11)14)7-9(2)13-5-3-12-4-6-13/h7,9,12H,3-6H2,1-2H3,(H2,11,14)/b8-7+
InChIKeyIKXJZUQFJXUMDU-BQYQJAHWSA-N
MW197.28 g/mol
LogP-0.29
Rot. Bonds3

About (E)-2-methyl-4-piperazin-1-ylpent-2-enamide

(E)-2-methyl-4-piperazin-1-ylpent-2-enamide (PubChem CID 90151523) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-2-methyl-4-piperazin-1-ylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-4-piperazin-1-ylpent-2-enamide
PubChem CID90151523
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(E)-2-methyl-4-piperazin-1-ylpent-2-enamide
SMILESC/C(=C\C(C)N1CCNCC1)C(N)=O
InChIInChI=1S/C10H19N3O/c1-8(10(11)14)7-9(2)13-5-3-12-4-6-13/h7,9,12H,3-6H2,1-2H3,(H2,11,14)/b8-7+
InChIKeyIKXJZUQFJXUMDU-BQYQJAHWSA-N
XLogP-0.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-piperazin-1-ylpent-2-enamide?
The IUPAC name of (E)-2-methyl-4-piperazin-1-ylpent-2-enamide (CID 90151523) is (E)-2-methyl-4-piperazin-1-ylpent-2-enamide.
What is the SMILES notation for (E)-2-methyl-4-piperazin-1-ylpent-2-enamide?
The canonical SMILES for (E)-2-methyl-4-piperazin-1-ylpent-2-enamide is C/C(=C\C(C)N1CCNCC1)C(N)=O.
What is the InChIKey of (E)-2-methyl-4-piperazin-1-ylpent-2-enamide?
The InChIKey is IKXJZUQFJXUMDU-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(10(11)14)7-9(2)13-5-3-12-4-6-13/h7,9,12H,3-6H2,1-2H3,(H2,11,14)/b8-7+.
What are the key properties of (E)-2-methyl-4-piperazin-1-ylpent-2-enamide?
(E)-2-methyl-4-piperazin-1-ylpent-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-piperazin-1-ylpent-2-enamide is sourced from PubChem (CID 90151523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).