N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide

C28H39FN4O3 — CID 70856030

About N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide

N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide (PubChem CID 70856030) has the molecular formula C28H39FN4O3 and a molecular weight of 498.64 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
• PubChem CID: 70856030
• Molecular Formula: C28H39FN4O3
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.30
• IUPAC Name: N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
• SMILES: CC(C)c1noc(N2CCC([C@H]3CC3CCOc3ccc(CC(=O)NC4CCCC4)c(F)c3)CC2)n1
• InChI: InChI=1S/C28H39FN4O3/c1-18(2)27-31-28(36-32-27)33-12-9-19(10-13-33)24-15-20(24)11-14-35-23-8-7-21(25(29)17-23)16-26(34)30-22-5-3-4-6-22/h7-8,17-20,22,24H,3-6,9-16H2,1-2H3,(H,30,34)/t20?,24-/m1/s1
• InChIKey: IFEVUWROTLFGLX-PIFIWZBESA-N
• XLogP: 5.26
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.64
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide?

The IUPAC name of N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide (CID 70856030) is N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide.

What is the SMILES notation for N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide?

The canonical SMILES for N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide is CC(C)c1noc(N2CCC([C@H]3CC3CCOc3ccc(CC(=O)NC4CCCC4)c(F)c3)CC2)n1.

What is the InChIKey of N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide?

The InChIKey is IFEVUWROTLFGLX-PIFIWZBESA-N. The full InChI is InChI=1S/C28H39FN4O3/c1-18(2)27-31-28(36-32-27)33-12-9-19(10-13-33)24-15-20(24)11-14-35-23-8-7-21(25(29)17-23)16-26(34)30-22-5-3-4-6-22/h7-8,17-20,22,24H,3-6,9-16H2,1-2H3,(H,30,34)/t20?,24-/m1/s1.

What are the key properties of N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide?

N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide has a molecular weight of 498.64 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide is sourced from PubChem (CID 70856030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).