1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one

C20H25N3O5 — CID 155493256

About 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one

1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 155493256) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
• PubChem CID: 155493256
• Molecular Formula: C20H25N3O5
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.18
• IUPAC Name: 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
• SMILES: COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCc2cnccn2)cc1OC
• InChI: InChI=1S/C20H25N3O5/c1-26-16-5-3-14(11-17(16)27-2)20-18(13-24)28-10-9-23(20)19(25)6-4-15-12-21-7-8-22-15/h3,5,7-8,11-12,18,20,24H,4,6,9-10,13H2,1-2H3/t18-,20-/m0/s1
• InChIKey: OPEVDZNINNSASQ-ICSRJNTNSA-N
• XLogP: 1.39
• TPSA: 94.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?

The IUPAC name of 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one (CID 155493256) is 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one.

What is the SMILES notation for 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?

The canonical SMILES for 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one is COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCc2cnccn2)cc1OC.

What is the InChIKey of 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?

The InChIKey is OPEVDZNINNSASQ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-16-5-3-14(11-17(16)27-2)20-18(13-24)28-10-9-23(20)19(25)6-4-15-12-21-7-8-22-15/h3,5,7-8,11-12,18,20,24H,4,6,9-10,13H2,1-2H3/t18-,20-/m0/s1.

What are the key properties of 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one?

1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 387.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 155493256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).