2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide

C12H19N3O2 — CID 54794749

IUPAC2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CC1NCCNC1=O
InChIInChI=1S/C12H19N3O2/c1-3-7-15(8-4-2)11(16)9-10-12(17)14-6-5-13-10/h3-4,10,13H,1-2,5-9H2,(H,14,17)
InChIKeyZWSALYJFHFWBTM-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.33
Rot. Bonds6

About 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide

2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 54794749) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID54794749
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CC1NCCNC1=O
InChIInChI=1S/C12H19N3O2/c1-3-7-15(8-4-2)11(16)9-10-12(17)14-6-5-13-10/h3-4,10,13H,1-2,5-9H2,(H,14,17)
InChIKeyZWSALYJFHFWBTM-UHFFFAOYSA-N
XLogP-0.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide (CID 54794749) is 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CC1NCCNC1=O.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is ZWSALYJFHFWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-7-15(8-4-2)11(16)9-10-12(17)14-6-5-13-10/h3-4,10,13H,1-2,5-9H2,(H,14,17).
What are the key properties of 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 54794749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).