4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide

C23H29FN4O2 — CID 55735273

About 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide (PubChem CID 55735273) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide
• PubChem CID: 55735273
• Molecular Formula: C23H29FN4O2
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.23
• IUPAC Name: 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide
• SMILES: CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)nc1
• InChI: InChI=1S/C23H29FN4O2/c1-16(2)21(27-22(29)18-7-9-19(24)10-8-18)23(30)26-15-17-6-11-20(25-14-17)28-12-4-3-5-13-28/h6-11,14,16,21H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,29)
• InChIKey: NWXKCWOVAAGFGW-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide?

The IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide (CID 55735273) is 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)nc1.

What is the InChIKey of 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide?

The InChIKey is NWXKCWOVAAGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-16(2)21(27-22(29)18-7-9-19(24)10-8-18)23(30)26-15-17-6-11-20(25-14-17)28-12-4-3-5-13-28/h6-11,14,16,21H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,29).

What are the key properties of 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide?

4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55735273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).