1-benzyl-4-tert-butyl-6-methylpiperazin-2-one

C16H24N2O — CID 70933116

IUPAC1-benzyl-4-tert-butyl-6-methylpiperazin-2-one
SMILESCC1CN(C(C)(C)C)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13-10-17(16(2,3)4)12-15(19)18(13)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyKHPCZXLTHWIGQL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds2

About 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one

1-benzyl-4-tert-butyl-6-methylpiperazin-2-one (PubChem CID 70933116) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-tert-butyl-6-methylpiperazin-2-one
PubChem CID70933116
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-4-tert-butyl-6-methylpiperazin-2-one
SMILESCC1CN(C(C)(C)C)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13-10-17(16(2,3)4)12-15(19)18(13)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyKHPCZXLTHWIGQL-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
CID 563307
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate
CID 563936
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one
CID 155554983
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
tert-butyl (3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate
CID 71742036
1-benzyl-4-tert-butylpiperazine
CID 3591937

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one?
The IUPAC name of 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one (CID 70933116) is 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one.
What is the SMILES notation for 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one?
The canonical SMILES for 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one is CC1CN(C(C)(C)C)CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one?
The InChIKey is KHPCZXLTHWIGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-10-17(16(2,3)4)12-15(19)18(13)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3.
What are the key properties of 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one?
1-benzyl-4-tert-butyl-6-methylpiperazin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butyl-6-methylpiperazin-2-one is sourced from PubChem (CID 70933116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).