3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide

C32H33F3N4O3 — CID 24955625

About 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide

3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 24955625) has the molecular formula C32H33F3N4O3 and a molecular weight of 578.64 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
• PubChem CID: 24955625
• Molecular Formula: C32H33F3N4O3
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.25
• IUPAC Name: 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
• SMILES: CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(O)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C
• InChI: InChI=1S/C32H33F3N4O3/c1-4-5-23-17-29-21(18-36-23)14-28(31(42)38(29)3)27-16-24(7-6-19(27)2)37-30(41)20-12-22(32(33,34)35)15-25(13-20)39-10-8-26(40)9-11-39/h6-7,12-18,26,40H,4-5,8-11H2,1-3H3,(H,37,41)
• InChIKey: CKBSDRFZQLMHRH-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide (CID 24955625) is 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide is CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCC(O)CC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.

What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

The InChIKey is CKBSDRFZQLMHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O3/c1-4-5-23-17-29-21(18-36-23)14-28(31(42)38(29)3)27-16-24(7-6-19(27)2)37-30(41)20-12-22(32(33,34)35)15-25(13-20)39-10-8-26(40)9-11-39/h6-7,12-18,26,40H,4-5,8-11H2,1-3H3,(H,37,41).

What are the key properties of 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide?

3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 578.64 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 24955625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).