tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate

C11H21N3O3 — CID 90790158

IUPACtert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate
SMILES[H]/N=C1\CCN(C(=O)OC(C)(C)C)CC1NOC
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-6-5-8(12)9(7-14)13-16-4/h9,12-13H,5-7H2,1-4H3/b12-8+
InChIKeyOFGCYLFDIDEWKR-XYOKQWHBSA-N
MW243.31 g/mol
LogP1.17
Rot. Bonds2

About tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate

tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate (PubChem CID 90790158) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate
PubChem CID90790158
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate
SMILES[H]/N=C1\CCN(C(=O)OC(C)(C)C)CC1NOC
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-6-5-8(12)9(7-14)13-16-4/h9,12-13H,5-7H2,1-4H3/b12-8+
InChIKeyOFGCYLFDIDEWKR-XYOKQWHBSA-N
XLogP1.17
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-iminoazepane-1-carboxylate
CID 58958450
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
1-O-tert-butyl 3-O-methyl 5-oxoazepane-1,3-dicarboxylate
CID 83670924
tert-butyl 2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 141015340
tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate
CID 114451411
tert-butyl 3-amino-4-oxoazepane-1-carboxylate
CID 75355418
tert-butyl 3-methyl-4-oxoazepane-1-carboxylate;hydrochloride
CID 133063383
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624
tert-butyl (1S,5R)-6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 86334179
tert-butyl 3-(1-methoxypent-4-ynyl)-4-oxopiperidine-1-carboxylate
CID 23553895
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate (CID 90790158) is tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate is [H]/N=C1\CCN(C(=O)OC(C)(C)C)CC1NOC.
What is the InChIKey of tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate?
The InChIKey is OFGCYLFDIDEWKR-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-6-5-8(12)9(7-14)13-16-4/h9,12-13H,5-7H2,1-4H3/b12-8+.
What are the key properties of tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate?
tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-imino-3-(methoxyamino)piperidine-1-carboxylate is sourced from PubChem (CID 90790158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).