5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one

C20H20FN3O3 — CID 136543696

About 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one

5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 136543696) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one
• PubChem CID: 136543696
• Molecular Formula: C20H20FN3O3
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.15
• IUPAC Name: 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one
• SMILES: O=C(CCc1ccc(=O)[nH]c1)N1CCC(c2noc3cc(F)ccc23)CC1
• InChI: InChI=1S/C20H20FN3O3/c21-15-3-4-16-17(11-15)27-23-20(16)14-7-9-24(10-8-14)19(26)6-2-13-1-5-18(25)22-12-13/h1,3-5,11-12,14H,2,6-10H2,(H,22,25)
• InChIKey: YGGRZSTTWKAESD-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one?

The IUPAC name of 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 136543696) is 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one?

The canonical SMILES for 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one is O=C(CCc1ccc(=O)[nH]c1)N1CCC(c2noc3cc(F)ccc23)CC1.

What is the InChIKey of 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one?

The InChIKey is YGGRZSTTWKAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-3-4-16-17(11-15)27-23-20(16)14-7-9-24(10-8-14)19(26)6-2-13-1-5-18(25)22-12-13/h1,3-5,11-12,14H,2,6-10H2,(H,22,25).

What are the key properties of 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one?

5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 369.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 136543696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).