(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide

C21H31N3O3 — CID 134706737

IUPAC(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide
SMILESCN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H31N3O3/c1-20(2)11-15(12-21(3,4)23-20)24(5)19(26)18-17(22-16(25)13-27-18)14-9-7-6-8-10-14/h6-10,15,17-18,23H,11-13H2,1-5H3,(H,22,25)/t17-,18+/m1/s1
InChIKeyMZGIYXJFRUPTSS-MSOLQXFVSA-N
MW373.50 g/mol
LogP2.01
Rot. Bonds3

About (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide

(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide (PubChem CID 134706737) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide
PubChem CID134706737
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide
SMILESCN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H31N3O3/c1-20(2)11-15(12-21(3,4)23-20)24(5)19(26)18-17(22-16(25)13-27-18)14-9-7-6-8-10-14/h6-10,15,17-18,23H,11-13H2,1-5H3,(H,22,25)/t17-,18+/m1/s1
InChIKeyMZGIYXJFRUPTSS-MSOLQXFVSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide (CID 134706737) is (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide is CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide?
The InChIKey is MZGIYXJFRUPTSS-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-20(2)11-15(12-21(3,4)23-20)24(5)19(26)18-17(22-16(25)13-27-18)14-9-7-6-8-10-14/h6-10,15,17-18,23H,11-13H2,1-5H3,(H,22,25)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide?
(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 134706737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).