(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one

C15H28N2O3 — CID 28698183

IUPAC(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
SMILESCC(C)(C)CN1CCC[C@@](O)(CN2CCOCC2)C1=O
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11-17-6-4-5-15(19,13(17)18)12-16-7-9-20-10-8-16/h19H,4-12H2,1-3H3/t15-/m1/s1
InChIKeyRGPMILKHGLSYOW-OAHLLOKOSA-N
MW284.40 g/mol
LogP0.72
Rot. Bonds3

About (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one

(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one (PubChem CID 28698183) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
PubChem CID28698183
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
SMILESCC(C)(C)CN1CCC[C@@](O)(CN2CCOCC2)C1=O
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11-17-6-4-5-15(19,13(17)18)12-16-7-9-20-10-8-16/h19H,4-12H2,1-3H3/t15-/m1/s1
InChIKeyRGPMILKHGLSYOW-OAHLLOKOSA-N
XLogP0.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
The IUPAC name of (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one (CID 28698183) is (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
The canonical SMILES for (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one is CC(C)(C)CN1CCC[C@@](O)(CN2CCOCC2)C1=O.
What is the InChIKey of (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
The InChIKey is RGPMILKHGLSYOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)11-17-6-4-5-15(19,13(17)18)12-16-7-9-20-10-8-16/h19H,4-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 28698183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).