4-tert-butyl-6-piperidin-3-ylmorpholin-3-one

C13H24N2O2 — CID 115067876

IUPAC4-tert-butyl-6-piperidin-3-ylmorpholin-3-one
SMILESCC(C)(C)N1CC(C2CCCNC2)OCC1=O
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-8-11(17-9-12(15)16)10-5-4-6-14-7-10/h10-11,14H,4-9H2,1-3H3
InChIKeyJGGMLEFPFKMNDI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds1

About 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one

4-tert-butyl-6-piperidin-3-ylmorpholin-3-one (PubChem CID 115067876) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name4-tert-butyl-6-piperidin-3-ylmorpholin-3-one
PubChem CID115067876
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-tert-butyl-6-piperidin-3-ylmorpholin-3-one
SMILESCC(C)(C)N1CC(C2CCCNC2)OCC1=O
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-8-11(17-9-12(15)16)10-5-4-6-14-7-10/h10-11,14H,4-9H2,1-3H3
InChIKeyJGGMLEFPFKMNDI-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-6-piperidin-3-ylmorpholin-3-one
CID 115067856
6-piperidin-3-ylmorpholin-3-one
CID 115067880
2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-c]azepine
CID 126571223
(6R)-4-methyl-6-piperidin-4-ylmorpholin-3-one
CID 125041327
3-cyclopropyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064955
6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115067951
(6S)-6-(4-bromophenyl)-4-tert-butylmorpholin-3-one
CID 67353763
(4aS,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;hydrochloride
CID 126969598
4-cyclopentyl-6-piperidin-4-ylmorpholin-3-one
CID 115067753
4-(3-hydroxyphenyl)-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067936
3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065107
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119818276

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one?
The IUPAC name of 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one (CID 115067876) is 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one.
What is the SMILES notation for 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one?
The canonical SMILES for 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one is CC(C)(C)N1CC(C2CCCNC2)OCC1=O.
What is the InChIKey of 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one?
The InChIKey is JGGMLEFPFKMNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)15-8-11(17-9-12(15)16)10-5-4-6-14-7-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one?
4-tert-butyl-6-piperidin-3-ylmorpholin-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-piperidin-3-ylmorpholin-3-one is sourced from PubChem (CID 115067876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).