1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione

C19H26N2O2 — CID 64885386

IUPAC1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)(C2CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-4-19(5-2)16(22)20-18(3,15-11-12-15)17(23)21(19)13-14-9-7-6-8-10-14/h6-10,15H,4-5,11-13H2,1-3H3,(H,20,22)
InChIKeyLDAXNEFRSBHBEU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.87
Rot. Bonds5

About 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione

1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 64885386) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID64885386
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)(C2CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-4-19(5-2)16(22)20-18(3,15-11-12-15)17(23)21(19)13-14-9-7-6-8-10-14/h6-10,15H,4-5,11-13H2,1-3H3,(H,20,22)
InChIKeyLDAXNEFRSBHBEU-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64886536
3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64885577
3-cyclopropyl-6,6-diethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64885576
1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879072
1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64887146
(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
CID 11243092
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9184509
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64902315
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione (CID 64885386) is 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione is CCC1(CC)C(=O)NC(C)(C2CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is LDAXNEFRSBHBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-19(5-2)16(22)20-18(3,15-11-12-15)17(23)21(19)13-14-9-7-6-8-10-14/h6-10,15H,4-5,11-13H2,1-3H3,(H,20,22).
What are the key properties of 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione?
1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 314.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64885386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).