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

C18H22N4O4 — CID 129341753

IUPAC3-[[(2S)-4-[(2R)-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+/m0/s1
InChIKeyRUHKKCDZYSMFID-LSDHHAIUSA-N
MW358.40 g/mol
LogP0.15
Rot. Bonds5

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

3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129341753) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129341753
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[[(2S)-4-[(2R)-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+/m0/s1
InChIKeyRUHKKCDZYSMFID-LSDHHAIUSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129341753) is 3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2S)-4-[(2R)-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-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is RUHKKCDZYSMFID-LSDHHAIUSA-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+/m0/s1.
What are the key properties of 3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[(2S)-4-[(2R)-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-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129341753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).