1-ethyl-4-hept-4-enylpiperazin-2-one

C13H24N2O — CID 171138334

IUPAC1-ethyl-4-hept-4-enylpiperazin-2-one
SMILESCCC=CCCCN1CCN(CC)C(=O)C1
InChIInChI=1S/C13H24N2O/c1-3-5-6-7-8-9-14-10-11-15(4-2)13(16)12-14/h5-6H,3-4,7-12H2,1-2H3
InChIKeyBQVCXDOGQYQWHD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.90
Rot. Bonds6

About 1-ethyl-4-hept-4-enylpiperazin-2-one

1-ethyl-4-hept-4-enylpiperazin-2-one (PubChem CID 171138334) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-4-hept-4-enylpiperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hept-4-enylpiperazin-2-one
PubChem CID171138334
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-ethyl-4-hept-4-enylpiperazin-2-one
SMILESCCC=CCCCN1CCN(CC)C(=O)C1
InChIInChI=1S/C13H24N2O/c1-3-5-6-7-8-9-14-10-11-15(4-2)13(16)12-14/h5-6H,3-4,7-12H2,1-2H3
InChIKeyBQVCXDOGQYQWHD-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
4-butyl-1-methylpiperazin-2-one
CID 117005150
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide
CID 122490706
1-(cyclopropylmethyl)-4-ethylpiperazin-2-one
CID 170709327
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-[(Z)-but-2-enyl]-3-[(Z)-pent-2-enyl]imidazolidin-2-one
CID 162358347
1,3-dipentylimidazolidin-4-one
CID 70598443
1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773
1-butylpyrrolidin-3-one
CID 23052762

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hept-4-enylpiperazin-2-one?
The IUPAC name of 1-ethyl-4-hept-4-enylpiperazin-2-one (CID 171138334) is 1-ethyl-4-hept-4-enylpiperazin-2-one.
What is the SMILES notation for 1-ethyl-4-hept-4-enylpiperazin-2-one?
The canonical SMILES for 1-ethyl-4-hept-4-enylpiperazin-2-one is CCC=CCCCN1CCN(CC)C(=O)C1.
What is the InChIKey of 1-ethyl-4-hept-4-enylpiperazin-2-one?
The InChIKey is BQVCXDOGQYQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-6-7-8-9-14-10-11-15(4-2)13(16)12-14/h5-6H,3-4,7-12H2,1-2H3.
What are the key properties of 1-ethyl-4-hept-4-enylpiperazin-2-one?
1-ethyl-4-hept-4-enylpiperazin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hept-4-enylpiperazin-2-one is sourced from PubChem (CID 171138334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).