methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate

C11H19NO4 — CID 102417916

IUPACmethyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](OC(C)(C)C)CC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-8-5-6-12(9(13)7-8)10(14)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyNNNWLWMEDDVJJI-MRVPVSSYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds1

About methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate

methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate (PubChem CID 102417916) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate
PubChem CID102417916
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](OC(C)(C)C)CC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-8-5-6-12(9(13)7-8)10(14)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyNNNWLWMEDDVJJI-MRVPVSSYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-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

tert-Butyl 4-hydroxy-2-oxopiperidine-1-carboxylate
CID 56965728
1-(3-Propan-2-yloxypropyl)piperidin-2-one
CID 59148047
4-(2-Methoxycarbonylethoxy)piperidine-1-carboxylic acid tert-butyl ester
CID 69035161
4-[3-[(2-Methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid
CID 91550371
1-(Tert-butoxycarbonyl)-2-oxopiperidin-4-yl methanesulfonate
CID 118075412
(4-Methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate
CID 118339199
(1-Methyl-2-oxopiperidin-4-yl) 2-methylpropanoate
CID 137430032
1-Methyl-4-propan-2-yloxypiperidin-2-one
CID 137431426
Tert-butyl 4-[(3-oxobutanoyl)oxy]piperidine-1-carboxylate
CID 138594071
3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate
CID 143388129
Potassium;tert-butyl 2-oxopiperidine-1-carboxylate;methanolate
CID 144163205
Tert-butyl 4-(3-oxopropoxy)piperidine-1-carboxylate
CID 146598768

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate?
The IUPAC name of methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate (CID 102417916) is methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate?
The canonical SMILES for methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate is COC(=O)N1CC[C@@H](OC(C)(C)C)CC1=O.
What is the InChIKey of methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate?
The InChIKey is NNNWLWMEDDVJJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-8-5-6-12(9(13)7-8)10(14)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate?
methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 102417916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).