1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione

C15H22N2O2 — CID 107898352

IUPAC1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C)(C2CC2)NC(=O)C1C1CC1
InChIInChI=1S/C15H22N2O2/c1-3-4-9-17-12(10-5-6-10)13(18)16-15(2,14(17)19)11-7-8-11/h3-4,10-12H,5-9H2,1-2H3,(H,16,18)/b4-3+
InChIKeyRZDWWXOVJLJQNN-ONEGZZNKSA-N
MW262.35 g/mol
LogP1.47
Rot. Bonds4

About 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione

1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione (PubChem CID 107898352) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
PubChem CID107898352
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C)(C2CC2)NC(=O)C1C1CC1
InChIInChI=1S/C15H22N2O2/c1-3-4-9-17-12(10-5-6-10)13(18)16-15(2,14(17)19)11-7-8-11/h3-4,10-12H,5-9H2,1-2H3,(H,16,18)/b4-3+
InChIKeyRZDWWXOVJLJQNN-ONEGZZNKSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
3,6-dicyclopropyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83149405
3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione
CID 64886906
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 107902298
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094
6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione
CID 64884802
6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64884996

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione (CID 107898352) is 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione is C/C=C/CN1C(=O)C(C)(C2CC2)NC(=O)C1C1CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione?
The InChIKey is RZDWWXOVJLJQNN-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-9-17-12(10-5-6-10)13(18)16-15(2,14(17)19)11-7-8-11/h3-4,10-12H,5-9H2,1-2H3,(H,16,18)/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione has a molecular weight of 262.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 107898352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).