2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate

C11H20N2O2 — CID 177284463

IUPAC2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate
SMILES[H]/N=C(\OCC(C)(C)C)N1CCCCC1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)8-15-10(12)13-7-5-4-6-9(13)14/h12H,4-8H2,1-3H3/b12-10-
InChIKeyUMILDKPMIRQBLP-BENRWUELSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds1

About 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate

2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate (PubChem CID 177284463) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate
PubChem CID177284463
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate
SMILES[H]/N=C(\OCC(C)(C)C)N1CCCCC1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)8-15-10(12)13-7-5-4-6-9(13)14/h12H,4-8H2,1-3H3/b12-10-
InChIKeyUMILDKPMIRQBLP-BENRWUELSA-N
XLogP2.00
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
CID 102564061
1-acetylazonan-2-one
CID 19035113
1-acetylazepan-2-one;methane
CID 158348937
1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one
CID 57157468
2-(2-oxopyrrolidin-1-yl)ethanimidamide
CID 11971110
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate?
The IUPAC name of 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate (CID 177284463) is 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate.
What is the SMILES notation for 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate?
The canonical SMILES for 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate is [H]/N=C(\OCC(C)(C)C)N1CCCCC1=O.
What is the InChIKey of 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate?
The InChIKey is UMILDKPMIRQBLP-BENRWUELSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)8-15-10(12)13-7-5-4-6-9(13)14/h12H,4-8H2,1-3H3/b12-10-.
What are the key properties of 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate?
2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate has a molecular weight of 212.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate is sourced from PubChem (CID 177284463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).