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

C28H30FN3O2 — CID 110149978

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

N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 110149978) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
• PubChem CID: 110149978
• Molecular Formula: C28H30FN3O2
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.23
• IUPAC Name: N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
• SMILES: CC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC(c2cccc(Cc3ccc(F)cc3)n2)C1
• InChI: InChI=1S/C28H30FN3O2/c1-28(2,31-26(33)21-8-4-3-5-9-21)27(34)32-17-7-10-22(19-32)25-12-6-11-24(30-25)18-20-13-15-23(29)16-14-20/h3-6,8-9,11-16,22H,7,10,17-19H2,1-2H3,(H,31,33)
• InChIKey: VPLBUOHUYUUPRC-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (CID 110149978) is N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

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

The canonical SMILES for N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC(c2cccc(Cc3ccc(F)cc3)n2)C1.

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

The InChIKey is VPLBUOHUYUUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-28(2,31-26(33)21-8-4-3-5-9-21)27(34)32-17-7-10-22(19-32)25-12-6-11-24(30-25)18-20-13-15-23(29)16-14-20/h3-6,8-9,11-16,22H,7,10,17-19H2,1-2H3,(H,31,33).

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

N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 110149978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).