tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate

C11H21N3O3 — CID 83670569

IUPACtert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1NCCNC1=O
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-8-9(15)13-7-6-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyPJDFEHGZPZKHJJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.01
Rot. Bonds3

About tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate

tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate (PubChem CID 83670569) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
PubChem CID83670569
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1NCCNC1=O
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-8-9(15)13-7-6-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyPJDFEHGZPZKHJJ-UHFFFAOYSA-N
XLogP-0.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate (CID 83670569) is tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1NCCNC1=O.
What is the InChIKey of tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate?
The InChIKey is PJDFEHGZPZKHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-8-9(15)13-7-6-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate?
tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 83670569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).