benzyl 3-methyl-5-oxopiperidine-1-carboxylate

C14H17NO3 — CID 163219670

IUPACbenzyl 3-methyl-5-oxopiperidine-1-carboxylate
SMILESCC1CC(=O)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-11-7-13(16)9-15(8-11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMSRNUJIXHHVEHL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.23
Rot. Bonds2

About benzyl 3-methyl-5-oxopiperidine-1-carboxylate

benzyl 3-methyl-5-oxopiperidine-1-carboxylate (PubChem CID 163219670) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl 3-methyl-5-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methyl-5-oxopiperidine-1-carboxylate
PubChem CID163219670
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl 3-methyl-5-oxopiperidine-1-carboxylate
SMILESCC1CC(=O)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-11-7-13(16)9-15(8-11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMSRNUJIXHHVEHL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride
CID 67386202
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl (3S)-3-cyano-4-oxopyrrolidine-1-carboxylate
CID 95165345
benzyl (3Z)-3-benzylidene-4-methylpyrrolidine-1-carboxylate
CID 134949064
benzyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 91755235
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methyl-5-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 3-methyl-5-oxopiperidine-1-carboxylate (CID 163219670) is benzyl 3-methyl-5-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-methyl-5-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-methyl-5-oxopiperidine-1-carboxylate is CC1CC(=O)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-methyl-5-oxopiperidine-1-carboxylate?
The InChIKey is MSRNUJIXHHVEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11-7-13(16)9-15(8-11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of benzyl 3-methyl-5-oxopiperidine-1-carboxylate?
benzyl 3-methyl-5-oxopiperidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methyl-5-oxopiperidine-1-carboxylate is sourced from PubChem (CID 163219670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).