1,4-bis(prop-2-enyl)piperazin-2-one

C10H16N2O — CID 67895247

IUPAC1,4-bis(prop-2-enyl)piperazin-2-one
SMILESC=CCN1CCN(CC=C)C(=O)C1
InChIInChI=1S/C10H16N2O/c1-3-5-11-7-8-12(6-4-2)10(13)9-11/h3-4H,1-2,5-9H2
InChIKeyMFQGJLDXOONIQW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.50
Rot. Bonds4

About 1,4-bis(prop-2-enyl)piperazin-2-one

1,4-bis(prop-2-enyl)piperazin-2-one (PubChem CID 67895247) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)piperazin-2-one.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)piperazin-2-one
PubChem CID67895247
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,4-bis(prop-2-enyl)piperazin-2-one
SMILESC=CCN1CCN(CC=C)C(=O)C1
InChIInChI=1S/C10H16N2O/c1-3-5-11-7-8-12(6-4-2)10(13)9-11/h3-4H,1-2,5-9H2
InChIKeyMFQGJLDXOONIQW-UHFFFAOYSA-N
XLogP0.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diallyl-2,3,5,6-piperazinetetrone
CID 361889
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
1-[4-(3-Methylbut-2-enyl)piperazin-1-yl]ethanone
CID 47012771
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
1-(4-Allyl-piperazin-1-yl)-2-amino-ethanone dihydrochloride
CID 44890715
N,N,N',N'-tetrakis(prop-2-enyl)oxamide
CID 3417533
Piperazine, 1-acetyl-4-(2-propenyl)-
CID 17147468
Piperazine, 1-(1-oxo-2-propenyl)-4-propyl-(9CI)
CID 18793249
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
2-(4-acetylpiperazin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 45798015
2,2,2-Trifluoro-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 17147680
1,4,7-Tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione
CID 5247243

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(prop-2-enyl)piperazin-2-one?
The IUPAC name of 1,4-bis(prop-2-enyl)piperazin-2-one (CID 67895247) is 1,4-bis(prop-2-enyl)piperazin-2-one.
What is the SMILES notation for 1,4-bis(prop-2-enyl)piperazin-2-one?
The canonical SMILES for 1,4-bis(prop-2-enyl)piperazin-2-one is C=CCN1CCN(CC=C)C(=O)C1.
What is the InChIKey of 1,4-bis(prop-2-enyl)piperazin-2-one?
The InChIKey is MFQGJLDXOONIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-11-7-8-12(6-4-2)10(13)9-11/h3-4H,1-2,5-9H2.
What are the key properties of 1,4-bis(prop-2-enyl)piperazin-2-one?
1,4-bis(prop-2-enyl)piperazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)piperazin-2-one is sourced from PubChem (CID 67895247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).