tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate

C16H24N2O3 — CID 123906177

IUPACtert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate
SMILESCC1=NC(N2CCC(=CC(=O)OC(C)(C)C)CC2)=CCO1
InChIInChI=1S/C16H24N2O3/c1-12-17-14(7-10-20-12)18-8-5-13(6-9-18)11-15(19)21-16(2,3)4/h7,11H,5-6,8-10H2,1-4H3
InChIKeyPVIXOQOKGUCUBF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.64
Rot. Bonds2

About tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate

tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate (PubChem CID 123906177) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate
PubChem CID123906177
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate
SMILESCC1=NC(N2CCC(=CC(=O)OC(C)(C)C)CC2)=CCO1
InChIInChI=1S/C16H24N2O3/c1-12-17-14(7-10-20-12)18-8-5-13(6-9-18)11-15(19)21-16(2,3)4/h7,11H,5-6,8-10H2,1-4H3
InChIKeyPVIXOQOKGUCUBF-UHFFFAOYSA-N
XLogP2.64
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate 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 2-cyclobutylideneacetate;formic acid
CID 162050243
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]piperidine-1-carboxylate
CID 66681880
tert-butyl (2E)-2-(1-benzylpyrrolidin-3-ylidene)acetate
CID 83851699
(2S,4E)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidine-1,2-dicarboxylic acid
CID 174157501
ethyl 2-[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidin-1-yl]acetate
CID 10890911
tert-butyl (2E)-2-(oxolan-2-ylidene)acetate
CID 13430113
tert-butyl 2-diethoxyphosphorylacetate;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160945142
tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate
CID 144814934
tert-butyl 4-(2-ethoxy-2-oxoethylidene)-2,2-dimethylpiperidine-1-carboxylate
CID 155892024
tert-butyl (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetate
CID 15669798
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
CID 59395234
methyl 2-(1-acetylpiperidin-4-ylidene)acetate
CID 130490640

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate?
The IUPAC name of tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate (CID 123906177) is tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate.
What is the SMILES notation for tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate?
The canonical SMILES for tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate is CC1=NC(N2CCC(=CC(=O)OC(C)(C)C)CC2)=CCO1.
What is the InChIKey of tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate?
The InChIKey is PVIXOQOKGUCUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-17-14(7-10-20-12)18-8-5-13(6-9-18)11-15(19)21-16(2,3)4/h7,11H,5-6,8-10H2,1-4H3.
What are the key properties of tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate?
tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate has a molecular weight of 292.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-methyl-6H-1,3-oxazin-4-yl)piperidin-4-ylidene]acetate is sourced from PubChem (CID 123906177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).