5-benzyl-1-methylpiperazin-2-one

C12H16N2O — CID 44630649

IUPAC5-benzyl-1-methylpiperazin-2-one
SMILESCN1CC(Cc2ccccc2)NCC1=O
InChIInChI=1S/C12H16N2O/c1-14-9-11(13-8-12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyAKDJPULYWQWHOS-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.66
Rot. Bonds2

About 5-benzyl-1-methylpiperazin-2-one

5-benzyl-1-methylpiperazin-2-one (PubChem CID 44630649) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-benzyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name5-benzyl-1-methylpiperazin-2-one
PubChem CID44630649
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-benzyl-1-methylpiperazin-2-one
SMILESCN1CC(Cc2ccccc2)NCC1=O
InChIInChI=1S/C12H16N2O/c1-14-9-11(13-8-12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyAKDJPULYWQWHOS-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one
CID 116817372
5-[(3-chloro-4-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817379
1-methyl-5-(2-methylpropyl)piperazin-2-one
CID 44630637
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-butyl-1-methylpiperazin-2-one
CID 44630633
6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 69364060
5-benzyl-2-cyclopropyl-1-methylpiperazine
CID 64848784
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
(4S)-4-benzyl-1-butylimidazolidin-2-one
CID 102070726
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methylpiperazin-2-one?
The IUPAC name of 5-benzyl-1-methylpiperazin-2-one (CID 44630649) is 5-benzyl-1-methylpiperazin-2-one.
What is the SMILES notation for 5-benzyl-1-methylpiperazin-2-one?
The canonical SMILES for 5-benzyl-1-methylpiperazin-2-one is CN1CC(Cc2ccccc2)NCC1=O.
What is the InChIKey of 5-benzyl-1-methylpiperazin-2-one?
The InChIKey is AKDJPULYWQWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-9-11(13-8-12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3.
What are the key properties of 5-benzyl-1-methylpiperazin-2-one?
5-benzyl-1-methylpiperazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methylpiperazin-2-one is sourced from PubChem (CID 44630649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).