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

C9H15N3O2 — CID 61175499

IUPACN-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C9H15N3O2/c1-2-8(13)11-7-9(14)12-5-3-10-4-6-12/h2,10H,1,3-7H2,(H,11,13)
InChIKeyUQFOGYQLEPHBHL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.28
Rot. Bonds3

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

N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 61175499) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide
PubChem CID61175499
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C9H15N3O2/c1-2-8(13)11-7-9(14)12-5-3-10-4-6-12/h2,10H,1,3-7H2,(H,11,13)
InChIKeyUQFOGYQLEPHBHL-UHFFFAOYSA-N
XLogP-1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.28
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 N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide (CID 61175499) is N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide is C=CC(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is UQFOGYQLEPHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-8(13)11-7-9(14)12-5-3-10-4-6-12/h2,10H,1,3-7H2,(H,11,13).
What are the key properties of N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide?
N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 197.24 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 61175499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).