1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione

C21H24N2O2 — CID 64902315

IUPAC1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-3-21(2)20(25)22-18(14-16-10-6-4-7-11-16)19(24)23(21)15-17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3,(H,22,25)
InChIKeyYBEPRSKLWBCNPW-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.92
Rot. Bonds5

About 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione

1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64902315) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64902315
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-3-21(2)20(25)22-18(14-16-10-6-4-7-11-16)19(24)23(21)15-17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3,(H,22,25)
InChIKeyYBEPRSKLWBCNPW-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64887146
3,5-dibenzyl-2,2-dimethylimidazolidin-4-one
CID 69255258
(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one
CID 171057688
6-ethyl-3,6-dimethyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79206432
1-[(2,3-difluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64873317
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874307
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873826
1-[(2-chloro-5-fluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 102620817
(5S)-5-benzyl-3-[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
CID 15953624
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione (CID 64902315) is 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NC(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is YBEPRSKLWBCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-21(2)20(25)22-18(14-16-10-6-4-7-11-16)19(24)23(21)15-17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3,(H,22,25).
What are the key properties of 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione?
1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 336.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64902315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).