5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C23H30N2O3 — CID 157011586

IUPAC5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C23H30N2O3/c1-15(2)21-17(11-12-20(26)24-21)22(27)25-13-18(16-9-7-6-8-10-16)28-19(14-25)23(3,4)5/h6-12,15,18-19H,13-14H2,1-5H3,(H,24,26)/t18-,19+/m0/s1
InChIKeyFMLDEVZXUAJIAS-RBUKOAKNSA-N
MW382.50 g/mol
LogP4.13
Rot. Bonds3

About 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 157011586) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID157011586
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)ccc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C23H30N2O3/c1-15(2)21-17(11-12-20(26)24-21)22(27)25-13-18(16-9-7-6-8-10-16)28-19(14-25)23(3,4)5/h6-12,15,18-19H,13-14H2,1-5H3,(H,24,26)/t18-,19+/m0/s1
InChIKeyFMLDEVZXUAJIAS-RBUKOAKNSA-N
XLogP4.13
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 155494284
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155506511
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 157011586) is 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)ccc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1.
What is the InChIKey of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is FMLDEVZXUAJIAS-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)21-17(11-12-20(26)24-21)22(27)25-13-18(16-9-7-6-8-10-16)28-19(14-25)23(3,4)5/h6-12,15,18-19H,13-14H2,1-5H3,(H,24,26)/t18-,19+/m0/s1.
What are the key properties of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 382.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 157011586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).