3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one

C20H24N4O3 — CID 155502177

About 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one

3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one (PubChem CID 155502177) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one
• PubChem CID: 155502177
• Molecular Formula: C20H24N4O3
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one
• SMILES: O=C(c1ncc[nH]c1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C20H24N4O3/c25-19-17(21-8-9-22-19)20(26)24-12-13-27-16(14-23-10-4-5-11-23)18(24)15-6-2-1-3-7-15/h1-3,6-9,16,18H,4-5,10-14H2,(H,22,25)/t16-,18-/m0/s1
• InChIKey: FLGDKKDNVJXISG-WMZOPIPTSA-N
• XLogP: 1.45
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one?

The IUPAC name of 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one (CID 155502177) is 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one.

What is the SMILES notation for 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one?

The canonical SMILES for 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one is O=C(c1ncc[nH]c1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.

What is the InChIKey of 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one?

The InChIKey is FLGDKKDNVJXISG-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19-17(21-8-9-22-19)20(26)24-12-13-27-16(14-23-10-4-5-11-23)18(24)15-6-2-1-3-7-15/h1-3,6-9,16,18H,4-5,10-14H2,(H,22,25)/t16-,18-/m0/s1.

What are the key properties of 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one?

3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 155502177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).