tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate

C11H18N2O4 — CID 18335022

IUPACtert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate
SMILESCN1C(=O)CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H18N2O4/c1-11(2,3)17-10(16)12-7-5-6-8(14)13(4)9(7)15/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyFOYROUKGPPBNAN-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.66
Rot. Bonds1

About tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate

tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate (PubChem CID 18335022) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate
PubChem CID18335022
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate
SMILESCN1C(=O)CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H18N2O4/c1-11(2,3)17-10(16)12-7-5-6-8(14)13(4)9(7)15/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyFOYROUKGPPBNAN-UHFFFAOYSA-N
XLogP0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate (CID 18335022) is tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate is CN1C(=O)CCC(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate?
The InChIKey is FOYROUKGPPBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2,3)17-10(16)12-7-5-6-8(14)13(4)9(7)15/h7H,5-6H2,1-4H3,(H,12,16).
What are the key properties of tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate?
tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate has a molecular weight of 242.27 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-2,6-dioxopiperidin-3-yl)carbamate is sourced from PubChem (CID 18335022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).