methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate

C24H30F3N3O4 — CID 129275640

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate (PubChem CID 129275640) has the molecular formula C24H30F3N3O4 and a molecular weight of 481.52 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
• PubChem CID: 129275640
• Molecular Formula: C24H30F3N3O4
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.22
• IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
• SMILES: COC(=O)CN(C(=O)OC(C)(C)C)C1CC(C)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
• InChI: InChI=1S/C24H30F3N3O4/c1-15-11-16(30(14-20(31)33-5)22(32)34-23(2,3)4)13-29(12-15)19-9-8-18(24(25,26)27)21-17(19)7-6-10-28-21/h6-10,15-16H,11-14H2,1-5H3
• InChIKey: NMLZHNPITTTZAP-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 71.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate?

The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate (CID 129275640) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate.

What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate?

The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate is COC(=O)CN(C(=O)OC(C)(C)C)C1CC(C)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.

What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate?

The InChIKey is NMLZHNPITTTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4/c1-15-11-16(30(14-20(31)33-5)22(32)34-23(2,3)4)13-29(12-15)19-9-8-18(24(25,26)27)21-17(19)7-6-10-28-21/h6-10,15-16H,11-14H2,1-5H3.

What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate?

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate has a molecular weight of 481.52 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate is sourced from PubChem (CID 129275640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).