3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide

C23H29F4N3O2 — CID 25206540

About 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide

3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 25206540) has the molecular formula C23H29F4N3O2 and a molecular weight of 455.50 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
• PubChem CID: 25206540
• Molecular Formula: C23H29F4N3O2
• Molecular Weight: 455.50 g/mol
• Exact Mass: 455.22
• IUPAC Name: 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
• SMILES: O=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1
• InChI: InChI=1S/C23H29F4N3O2/c24-17-3-6-19-20(13-17)32-29-22(19)16-8-11-30(12-9-16)10-7-15-1-4-18(5-2-15)28-21(31)14-23(25,26)27/h3,6,13,15-16,18H,1-2,4-5,7-12,14H2,(H,28,31)
• InChIKey: PAZGGYGNWVGTBZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.50
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?

The IUPAC name of 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide (CID 25206540) is 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide is O=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1.

What is the InChIKey of 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?

The InChIKey is PAZGGYGNWVGTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F4N3O2/c24-17-3-6-19-20(13-17)32-29-22(19)16-8-11-30(12-9-16)10-7-15-1-4-18(5-2-15)28-21(31)14-23(25,26)27/h3,6,13,15-16,18H,1-2,4-5,7-12,14H2,(H,28,31).

What are the key properties of 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?

3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 455.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 25206540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).