benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate

C14H17NO3 — CID 22872591

IUPACbenzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OCc2ccccc2)C(=O)C1
InChIInChI=1S/C14H17NO3/c1-11-7-8-15(13(16)9-11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKeyUJEQVOJESLWYOA-LLVKDONJSA-N
MW247.29 g/mol
LogP2.58
Rot. Bonds2

About benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate

benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate (PubChem CID 22872591) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
PubChem CID22872591
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OCc2ccccc2)C(=O)C1
InChIInChI=1S/C14H17NO3/c1-11-7-8-15(13(16)9-11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKeyUJEQVOJESLWYOA-LLVKDONJSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-methyl-5-oxopiperidine-1-carboxylate
CID 163219670
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 59439531
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91663906
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (2R)-2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 18660116
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
1-O-benzyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate
CID 54081936
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate (CID 22872591) is benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate is C[C@@H]1CCN(C(=O)OCc2ccccc2)C(=O)C1.
What is the InChIKey of benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate?
The InChIKey is UJEQVOJESLWYOA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11-7-8-15(13(16)9-11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate?
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 22872591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).