tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate

C12H22N2O3 — CID 83488033

IUPACtert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyITVUFHCIYQASHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.08
Rot. Bonds3

About tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate

tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate (PubChem CID 83488033) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate
PubChem CID83488033
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyITVUFHCIYQASHD-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate (CID 83488033) is tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate is CC(C)(C)OC(=O)NCC(=O)C1CCNCC1.
What is the InChIKey of tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate?
The InChIKey is ITVUFHCIYQASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate?
tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-2-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 83488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).