tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate

C11H19NO3 — CID 10846260

IUPACtert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H19NO3/c1-8-6-5-7-12(9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVUVFOACOYUDSHA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds

About tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate

tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate (PubChem CID 10846260) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
PubChem CID10846260
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H19NO3/c1-8-6-5-7-12(9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVUVFOACOYUDSHA-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-methyl-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 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate
CID 164903673
tert-butyl 3-(4-methylbenzoyl)-2-oxopiperidine-1-carboxylate
CID 145068213
tert-butyl 3-(4-bromobenzoyl)-2-oxopiperidine-1-carboxylate
CID 90458862
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116
tert-butyl (3S)-3-[(3S,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 138622117
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate (CID 10846260) is tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate is CC1CCCN(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate?
The InChIKey is VUVFOACOYUDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-6-5-7-12(9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate?
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 10846260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).