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

C19H23N3O3 — CID 134711873

IUPAC5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)16-12-22(18(24)14-9-21-17(23)10-20-14)11-15(25-16)13-7-5-4-6-8-13/h4-10,15-16H,11-12H2,1-3H3,(H,21,23)/t15-,16+/m0/s1
InChIKeyRKRBZEADGZTLFA-JKSUJKDBSA-N
MW341.41 g/mol
LogP2.40
Rot. Bonds2

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

5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one (PubChem CID 134711873) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
PubChem CID134711873
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)16-12-22(18(24)14-9-21-17(23)10-20-14)11-15(25-16)13-7-5-4-6-8-13/h4-10,15-16H,11-12H2,1-3H3,(H,21,23)/t15-,16+/m0/s1
InChIKeyRKRBZEADGZTLFA-JKSUJKDBSA-N
XLogP2.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
[(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
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011586
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
[3-(2-aminoethoxy)-2-pyridinyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155509589
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one (CID 134711873) is 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one is CC(C)(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one?
The InChIKey is RKRBZEADGZTLFA-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)16-12-22(18(24)14-9-21-17(23)10-20-14)11-15(25-16)13-7-5-4-6-8-13/h4-10,15-16H,11-12H2,1-3H3,(H,21,23)/t15-,16+/m0/s1.
What are the key properties of 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one?
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 134711873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).