3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid

C16H19NO5 — CID 22557142

IUPAC3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid
SMILESCOC(=O)CC1(Cc2ccccc2)CN(C(=O)O)CCC1=O
InChIInChI=1S/C16H19NO5/c1-22-14(19)10-16(9-12-5-3-2-4-6-12)11-17(15(20)21)8-7-13(16)18/h2-6H,7-11H2,1H3,(H,20,21)
InChIKeySBAQYFRJJMFVHZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.73
Rot. Bonds4

About 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid

3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid (PubChem CID 22557142) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid
PubChem CID22557142
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid
SMILESCOC(=O)CC1(Cc2ccccc2)CN(C(=O)O)CCC1=O
InChIInChI=1S/C16H19NO5/c1-22-14(19)10-16(9-12-5-3-2-4-6-12)11-17(15(20)21)8-7-13(16)18/h2-6H,7-11H2,1H3,(H,20,21)
InChIKeySBAQYFRJJMFVHZ-UHFFFAOYSA-N
XLogP1.73
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid 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

tert-butyl 4-benzyl-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143220733
tert-butyl N-[(2S)-2-acetyl-2-benzylpent-4-enyl]carbamate;tert-butyl (3S)-3-benzyl-4-oxo-3-prop-2-enylpiperidine-1-carboxylate;methane
CID 164993555
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
CID 22278861
3-acetyl-3-benzyl-1-methylpiperidin-4-one
CID 21364075
3-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 154499539
ditert-butyl 4-benzyl-5-oxoazepane-1,4-dicarboxylate
CID 134942076
methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate
CID 10383359
4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 22240842
methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
tert-butyl (2R)-2-benzyl-3-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 160694364
(9aR)-9a-benzyl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxylic acid
CID 66936383
4-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethylidene]-3,3-difluoropiperidine-1-carboxylic acid
CID 134610744

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid (CID 22557142) is 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid is COC(=O)CC1(Cc2ccccc2)CN(C(=O)O)CCC1=O.
What is the InChIKey of 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid?
The InChIKey is SBAQYFRJJMFVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-22-14(19)10-16(9-12-5-3-2-4-6-12)11-17(15(20)21)8-7-13(16)18/h2-6H,7-11H2,1H3,(H,20,21).
What are the key properties of 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid?
3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 22557142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).