1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione

C16H22N2O3 — CID 15914230

IUPAC1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCOC1(CC(C)C)C(=O)NCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(2)9-16(21-3)15(20)17-10-14(19)18(16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)
InChIKeyQJEYMQPORGCUSP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.53
Rot. Bonds5

About 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione

1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 15914230) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID15914230
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCOC1(CC(C)C)C(=O)NCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(2)9-16(21-3)15(20)17-10-14(19)18(16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)
InChIKeyQJEYMQPORGCUSP-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2,2-dimethylimidazolidin-4-one
CID 57433089
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
CID 163217166
6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
CID 64879553
3-benzyl-2,2-dipropylimidazolidin-4-one
CID 122605923
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
1-[(4-bromophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64879908
6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione
CID 64879343
1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880110
1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64880512
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880486

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione (CID 15914230) is 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione is COC1(CC(C)C)C(=O)NCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is QJEYMQPORGCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)9-16(21-3)15(20)17-10-14(19)18(16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20).
What are the key properties of 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione?
1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 15914230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).