3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C18H22N4O4 — CID 129341750

IUPAC3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(C(=O)[C@@H](O)c3ccccc3)CCO2)c1=O
InChIInChI=1S/C18H22N4O4/c1-21-8-7-19-16(18(21)25)20-11-14-12-22(9-10-26-14)17(24)15(23)13-5-3-2-4-6-13/h2-8,14-15,23H,9-12H2,1H3,(H,19,20)/t14-,15+/m1/s1
InChIKeyRUHKKCDZYSMFID-CABCVRRESA-N
MW358.40 g/mol
LogP0.15
Rot. Bonds5

About 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129341750) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129341750
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(C(=O)[C@@H](O)c3ccccc3)CCO2)c1=O
InChIInChI=1S/C18H22N4O4/c1-21-8-7-19-16(18(21)25)20-11-14-12-22(9-10-26-14)17(24)15(23)13-5-3-2-4-6-13/h2-8,14-15,23H,9-12H2,1H3,(H,19,20)/t14-,15+/m1/s1
InChIKeyRUHKKCDZYSMFID-CABCVRRESA-N
XLogP0.15
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341753
1-methyl-3-[[4-(2-pyridin-3-ylpropanoyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 128968480
3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129340708
2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 129000674
1-methyl-3-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129344172
3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129000438
1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129338615
1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129341885
3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129344097
1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129002643
1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129331494

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129341750) is 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NC[C@@H]2CN(C(=O)[C@@H](O)c3ccccc3)CCO2)c1=O.
What is the InChIKey of 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is RUHKKCDZYSMFID-CABCVRRESA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21-8-7-19-16(18(21)25)20-11-14-12-22(9-10-26-14)17(24)15(23)13-5-3-2-4-6-13/h2-8,14-15,23H,9-12H2,1H3,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 358.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129341750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).