2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide

C22H27F3N4O — CID 166776978

About 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide

2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide (PubChem CID 166776978) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
• PubChem CID: 166776978
• Molecular Formula: C22H27F3N4O
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.21
• IUPAC Name: 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
• SMILES: CC1CC(NC(=O)CC2CN(C)C2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
• InChI: InChI=1S/C22H27F3N4O/c1-14-8-16(27-20(30)9-15-11-28(2)12-15)13-29(10-14)19-6-5-18(22(23,24)25)21-17(19)4-3-7-26-21/h3-7,14-16H,8-13H2,1-2H3,(H,27,30)
• InChIKey: JFOXMQYOXULMLH-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide?

The IUPAC name of 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide (CID 166776978) is 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide is CC1CC(NC(=O)CC2CN(C)C2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.

What is the InChIKey of 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide?

The InChIKey is JFOXMQYOXULMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O/c1-14-8-16(27-20(30)9-15-11-28(2)12-15)13-29(10-14)19-6-5-18(22(23,24)25)21-17(19)4-3-7-26-21/h3-7,14-16H,8-13H2,1-2H3,(H,27,30).

What are the key properties of 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide?

2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 166776978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).