benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate

C13H16N2O3 — CID 54227046

IUPACbenzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
SMILESC[C@H]1C(=O)NCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-10-12(16)14-7-8-15(10)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyQGOPZRYPDFSHOY-JTQLQIEISA-N
MW248.28 g/mol
LogP1.14
Rot. Bonds2

About benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate

benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate (PubChem CID 54227046) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
PubChem CID54227046
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
SMILESC[C@H]1C(=O)NCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-10-12(16)14-7-8-15(10)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyQGOPZRYPDFSHOY-JTQLQIEISA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (1S,5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 10658069
benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
CID 156517654
3-methyl-4-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]piperazin-2-one
CID 72685653
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate (CID 54227046) is benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate is C[C@H]1C(=O)NCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate?
The InChIKey is QGOPZRYPDFSHOY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10-12(16)14-7-8-15(10)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate?
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 54227046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).