tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate

C12H22N2O3 — CID 53419961

IUPACtert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(=O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-6-9-14-7-4-10(15)5-8-14/h4-9H2,1-3H3,(H,13,16)
InChIKeyMUDQGIOQWIBILS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.18
Rot. Bonds3

About tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate (PubChem CID 53419961) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate
PubChem CID53419961
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(=O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-6-9-14-7-4-10(15)5-8-14/h4-9H2,1-3H3,(H,13,16)
InChIKeyMUDQGIOQWIBILS-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate (CID 53419961) is tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCC(=O)CC1.
What is the InChIKey of tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate?
The InChIKey is MUDQGIOQWIBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-6-9-14-7-4-10(15)5-8-14/h4-9H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 53419961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).