tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate

C12H23N3O3 — CID 69163615

IUPACtert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZFSTVTOBMWVLER-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.38
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate (PubChem CID 69163615) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate
PubChem CID69163615
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZFSTVTOBMWVLER-UHFFFAOYSA-N
XLogP0.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.38
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-oxo-2-(piperidin-4-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate (CID 69163615) is tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCNCC1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate?
The InChIKey is ZFSTVTOBMWVLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.38, 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-oxo-2-(piperidin-4-ylamino)ethyl]carbamate is sourced from PubChem (CID 69163615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).