tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate

C12H20N2O3 — CID 144814934

IUPACtert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=CC(N)=O)CC1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)8-10(13)15/h8H,4-7H2,1-3H3,(H2,13,15)
InChIKeyVWQZNLBWQCTBJQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate

tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate (PubChem CID 144814934) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate
PubChem CID144814934
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=CC(N)=O)CC1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)8-10(13)15/h8H,4-7H2,1-3H3,(H2,13,15)
InChIKeyVWQZNLBWQCTBJQ-UHFFFAOYSA-N
XLogP1.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-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 (4Z)-4-(2-oxoethylidene)azepane-1-carboxylate
CID 87589381
tert-butyl 4-prop-2-ynylidenepiperidine-1-carboxylate
CID 86661548
tert-butyl 4-butylidenepiperidine-1-carboxylate
CID 22970158
tert-butyl 4-(methoxymethylidene)azepane-1-carboxylate
CID 70838203
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 4-(3-methoxypropylidene)piperidine-1-carboxylate
CID 143297474
CID 88986772
CID 88986772
tert-butyl 3-(cyanomethylidene)pyrrolidine-1-carboxylate
CID 67451704
tert-butyl 4-[(3-aminophenyl)methylidene]piperidine-1-carboxylate
CID 166025750
2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride
CID 142732961
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate (CID 144814934) is tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=CC(N)=O)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate?
The InChIKey is VWQZNLBWQCTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)8-10(13)15/h8H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-2-oxoethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 144814934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).