tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate

C12H20N2O4 — CID 170979636

IUPACtert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate
SMILESCN(C)C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)14-9(15)7-6-8(10(14)16)13(4)5/h8H,6-7H2,1-5H3
InChIKeyZCZGNBRAOCKZBU-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate

tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate (PubChem CID 170979636) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate
PubChem CID170979636
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate
SMILESCN(C)C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)14-9(15)7-6-8(10(14)16)13(4)5/h8H,6-7H2,1-5H3
InChIKeyZCZGNBRAOCKZBU-UHFFFAOYSA-N
XLogP1.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
tert-butyl (1R,5R)-2,6-dioxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 71724109
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734
tert-butyl 3-[3-[4-(aminomethyl)phenyl]-2-oxoimidazolidin-1-yl]-2,6-dioxopiperidine-1-carboxylate
CID 138467667
tert-butyl 3-(4-chloro-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidine-1-carboxylate
CID 138466780
tert-butyl (3aS,6aS)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 169410158
tert-butyl 3-[4-(3-methylphenyl)-2-oxopyrrolidin-1-yl]-2,6-dioxopiperidine-1-carboxylate
CID 159218529
tert-butyl 3-(7-iodo-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidine-1-carboxylate
CID 147054777
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate (CID 170979636) is tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate is CN(C)C1CCC(=O)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate?
The InChIKey is ZCZGNBRAOCKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)14-9(15)7-6-8(10(14)16)13(4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate?
tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(dimethylamino)-2,6-dioxopiperidine-1-carboxylate is sourced from PubChem (CID 170979636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).