3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide

C22H28F3N3O — CID 166776961

About 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide

3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide (PubChem CID 166776961) has the molecular formula C22H28F3N3O and a molecular weight of 407.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide.

Molecular Properties

• Compound Name: 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
• PubChem CID: 166776961
• Molecular Formula: C22H28F3N3O
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.22
• IUPAC Name: 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
• SMILES: CC1CC(NC(=O)CC(C)(C)C)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
• InChI: InChI=1S/C22H28F3N3O/c1-14-10-15(27-19(29)11-21(2,3)4)13-28(12-14)18-8-7-17(22(23,24)25)20-16(18)6-5-9-26-20/h5-9,14-15H,10-13H2,1-4H3,(H,27,29)
• InChIKey: YIKNKXDLIKXTSM-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide?

The IUPAC name of 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide (CID 166776961) is 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide.

What is the SMILES notation for 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide?

The canonical SMILES for 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide is CC1CC(NC(=O)CC(C)(C)C)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.

What is the InChIKey of 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide?

The InChIKey is YIKNKXDLIKXTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O/c1-14-10-15(27-19(29)11-21(2,3)4)13-28(12-14)18-8-7-17(22(23,24)25)20-16(18)6-5-9-26-20/h5-9,14-15H,10-13H2,1-4H3,(H,27,29).

What are the key properties of 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide?

3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide has a molecular weight of 407.48 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide is sourced from PubChem (CID 166776961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).