benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate

C14H18N2O3 — CID 57066025

IUPACbenzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
SMILESCC1CNC(=O)[C@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-10-8-15-13(17)11(2)16(10)14(18)19-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyNVVOSONODVYVRG-DTIOYNMSSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds2

About benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate

benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate (PubChem CID 57066025) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
PubChem CID57066025
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
SMILESCC1CNC(=O)[C@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-10-8-15-13(17)11(2)16(10)14(18)19-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyNVVOSONODVYVRG-DTIOYNMSSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
(3-phenylmethoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69142437
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
3-hydroxy-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 155894007
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
benzyl (2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 57221945

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate (CID 57066025) is benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate is CC1CNC(=O)[C@H](C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate?
The InChIKey is NVVOSONODVYVRG-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-8-15-13(17)11(2)16(10)14(18)19-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate?
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 57066025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).