2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide

C10H19N3O — CID 18464111

IUPAC2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCNCC1
InChIInChI=1S/C10H19N3O/c1-9(2)10(14)12-5-8-13-6-3-11-4-7-13/h11H,1,3-8H2,2H3,(H,12,14)
InChIKeyFXERUAUMELEVIS-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.42
Rot. Bonds4

About 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide

2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 18464111) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide
PubChem CID18464111
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCNCC1
InChIInChI=1S/C10H19N3O/c1-9(2)10(14)12-5-8-13-6-3-11-4-7-13/h11H,1,3-8H2,2H3,(H,12,14)
InChIKeyFXERUAUMELEVIS-UHFFFAOYSA-N
XLogP-0.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.42
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 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide (CID 18464111) is 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide is C=C(C)C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is FXERUAUMELEVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)10(14)12-5-8-13-6-3-11-4-7-13/h11H,1,3-8H2,2H3,(H,12,14).
What are the key properties of 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide?
2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 18464111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).