N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide

C27H28FN3O2 — CID 110253883

About N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide

N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 110253883) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
• PubChem CID: 110253883
• Molecular Formula: C27H28FN3O2
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.22
• IUPAC Name: N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C(=O)N2CCCC(c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1
• InChI: InChI=1S/C27H28FN3O2/c1-18-14-20(15-22-6-3-4-8-25(22)28)16-26(29-18)23-7-5-13-31(17-23)27(33)21-9-11-24(12-10-21)30-19(2)32/h3-4,6,8-12,14,16,23H,5,7,13,15,17H2,1-2H3,(H,30,32)
• InChIKey: QOIRDXZTRMJEHU-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?

The IUPAC name of N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide (CID 110253883) is N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?

The canonical SMILES for N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCC(c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1.

What is the InChIKey of N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?

The InChIKey is QOIRDXZTRMJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-18-14-20(15-22-6-3-4-8-25(22)28)16-26(29-18)23-7-5-13-31(17-23)27(33)21-9-11-24(12-10-21)30-19(2)32/h3-4,6,8-12,14,16,23H,5,7,13,15,17H2,1-2H3,(H,30,32).

What are the key properties of N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?

N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110253883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).