1-benzyl-3,6-ditert-butylpiperazine-2,5-dione

C19H28N2O2 — CID 64902852

IUPAC1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O2/c1-18(2,3)14-17(23)21(12-13-10-8-7-9-11-13)15(16(22)20-14)19(4,5)6/h7-11,14-15H,12H2,1-6H3,(H,20,22)
InChIKeyGHWXJXGBKNSKCE-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.97
Rot. Bonds2

About 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione

1-benzyl-3,6-ditert-butylpiperazine-2,5-dione (PubChem CID 64902852) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
PubChem CID64902852
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O2/c1-18(2,3)14-17(23)21(12-13-10-8-7-9-11-13)15(16(22)20-14)19(4,5)6/h7-11,14-15H,12H2,1-6H3,(H,20,22)
InChIKeyGHWXJXGBKNSKCE-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902457
3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
CID 64901185
3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958766
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873934
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887804
6-tert-butyl-3-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874333
1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903052
6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879734
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
CID 563307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione (CID 64902852) is 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione is CC(C)(C)C1NC(=O)C(C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione?
The InChIKey is GHWXJXGBKNSKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)14-17(23)21(12-13-10-8-7-9-11-13)15(16(22)20-14)19(4,5)6/h7-11,14-15H,12H2,1-6H3,(H,20,22).
What are the key properties of 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione?
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione has a molecular weight of 316.44 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-ditert-butylpiperazine-2,5-dione is sourced from PubChem (CID 64902852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).