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

C30H35FN4O — CID 118154871

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

2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide (PubChem CID 118154871) has the molecular formula C30H35FN4O and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
• PubChem CID: 118154871
• Molecular Formula: C30H35FN4O
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.28
• IUPAC Name: 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide
• SMILES: Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCCCC5)nc4)CC3)c2F)cc1
• InChI: InChI=1S/C30H35FN4O/c1-22-8-11-24(12-9-22)26-6-5-7-27(29(26)31)30(36)33-25-14-18-34(19-15-25)21-23-10-13-28(32-20-23)35-16-3-2-4-17-35/h5-13,20,25H,2-4,14-19,21H2,1H3,(H,33,36)
• InChIKey: FFXATKVXNVNECX-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide (CID 118154871) is 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide.

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

The canonical SMILES for 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide is Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCCCC5)nc4)CC3)c2F)cc1.

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

The InChIKey is FFXATKVXNVNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O/c1-22-8-11-24(12-9-22)26-6-5-7-27(29(26)31)30(36)33-25-14-18-34(19-15-25)21-23-10-13-28(32-20-23)35-16-3-2-4-17-35/h5-13,20,25H,2-4,14-19,21H2,1H3,(H,33,36).

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

2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 486.64 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-3-(4-methylphenyl)-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 118154871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).