benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

C15H19NO3 — CID 22278861

IUPACbenzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
SMILESCC1(C)CN(C(=O)OCc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO3/c1-15(2)11-16(9-8-13(15)17)14(18)19-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyQHCSLEQTUOGKAJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds2

About benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate (PubChem CID 22278861) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
PubChem CID22278861
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
SMILESCC1(C)CN(C(=O)OCc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO3/c1-15(2)11-16(9-8-13(15)17)14(18)19-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyQHCSLEQTUOGKAJ-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzyl 4-O-ethyl 4-methyl-5-oxoazepane-1,4-dicarboxylate
CID 169265710
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584

Frequently Asked Questions

What is the IUPAC name of benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate (CID 22278861) is benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate is CC1(C)CN(C(=O)OCc2ccccc2)CCC1=O.
What is the InChIKey of benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is QHCSLEQTUOGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)11-16(9-8-13(15)17)14(18)19-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate?
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 22278861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).