1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione

C14H22N2O2 — CID 114013993

IUPAC1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C2CC2)NC(=O)C1CCC
InChIInChI=1S/C14H22N2O2/c1-3-5-9-16-11(6-4-2)13(17)15-12(14(16)18)10-7-8-10/h3,5,10-12H,4,6-9H2,1-2H3,(H,15,17)/b5-3+
InChIKeyWPGRXPDWJITSHK-HWKANZROSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds5

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

1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione (PubChem CID 114013993) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
PubChem CID114013993
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C2CC2)NC(=O)C1CCC
InChIInChI=1S/C14H22N2O2/c1-3-5-9-16-11(6-4-2)13(17)15-12(14(16)18)10-7-8-10/h3,5,10-12H,4,6-9H2,1-2H3,(H,15,17)/b5-3+
InChIKeyWPGRXPDWJITSHK-HWKANZROSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
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-cyclopropyl-6-propylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 107898379
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
CID 103016949
1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 107902004
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 64885436
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione (CID 114013993) is 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione is C/C=C/CN1C(=O)C(C2CC2)NC(=O)C1CCC.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
The InChIKey is WPGRXPDWJITSHK-HWKANZROSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-9-16-11(6-4-2)13(17)15-12(14(16)18)10-7-8-10/h3,5,10-12H,4,6-9H2,1-2H3,(H,15,17)/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.47, 5 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-cyclopropyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 114013993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).