[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C19H25N5O3 — CID 100658983

About [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 100658983) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
• PubChem CID: 100658983
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
• SMILES: CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1
• InChI: InChI=1S/C19H25N5O3/c1-23(2)17-18(21-10-9-20-17)26-13-6-5-11-24(12-13)19(25)16-14-7-3-4-8-15(14)27-22-16/h9-10,13H,3-8,11-12H2,1-2H3/t13-/m1/s1
• InChIKey: PBAIKTYXZPCABK-CYBMUJFWSA-N
• XLogP: 2.09
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?

The IUPAC name of [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 100658983) is [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

What is the SMILES notation for [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?

The canonical SMILES for [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1.

What is the InChIKey of [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?

The InChIKey is PBAIKTYXZPCABK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23(2)17-18(21-10-9-20-17)26-13-6-5-11-24(12-13)19(25)16-14-7-3-4-8-15(14)27-22-16/h9-10,13H,3-8,11-12H2,1-2H3/t13-/m1/s1.

What are the key properties of [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?

[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 100658983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).