benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate

C15H19NO3 — CID 175064771

IUPACbenzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate
SMILESCC1CC(=O)C(C(=O)OCc2ccccc2)CN1C
InChIInChI=1S/C15H19NO3/c1-11-8-14(17)13(9-16(11)2)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyHQZUDBRIHRGVBE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds3

About benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate

benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate (PubChem CID 175064771) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate
PubChem CID175064771
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate
SMILESCC1CC(=O)C(C(=O)OCc2ccccc2)CN1C
InChIInChI=1S/C15H19NO3/c1-11-8-14(17)13(9-16(11)2)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyHQZUDBRIHRGVBE-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze benzyl 1,6-dimethyl-4-oxopiperidine-3-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 (1S)-2-oxocyclobutane-1-carboxylate
CID 66868456
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035
benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
benzyl (3S)-1-amino-2-oxopyrrolidine-3-carboxylate
CID 71431336
benzyl 2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazine-4-carboxylate
CID 166866844
benzyl (3S,5E)-5-(2-ethoxy-2-oxoethylidene)-1-methyl-2-oxopyrrolidine-3-carboxylate
CID 101011307
benzyl (2R,5R)-2-(difluoromethyl)-4,5-dimethylpiperazine-1-carboxylate
CID 158802302
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190

Frequently Asked Questions

What is the IUPAC name of benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate?
The IUPAC name of benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate (CID 175064771) is benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate.
What is the SMILES notation for benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate?
The canonical SMILES for benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate is CC1CC(=O)C(C(=O)OCc2ccccc2)CN1C.
What is the InChIKey of benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate?
The InChIKey is HQZUDBRIHRGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-8-14(17)13(9-16(11)2)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate?
benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate is sourced from PubChem (CID 175064771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).