2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

C28H32FN3O2 — CID 58450452

IUPAC2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)c1
InChIInChI=1S/C28H32FN3O2/c1-21-6-5-7-22(16-21)19-31-28(33)17-24-9-8-23(20-30-24)26-11-10-25(18-27(26)29)34-15-14-32-12-3-2-4-13-32/h5-11,16,18,20H,2-4,12-15,17,19H2,1H3,(H,31,33)
InChIKeyMBXABLQHQJJCOD-UHFFFAOYSA-N
MW461.58 g/mol
LogP4.92
Rot. Bonds9

About 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 58450452) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID58450452
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC Name2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)c1
InChIInChI=1S/C28H32FN3O2/c1-21-6-5-7-22(16-21)19-31-28(33)17-24-9-8-23(20-30-24)26-11-10-25(18-27(26)29)34-15-14-32-12-3-2-4-13-32/h5-11,16,18,20H,2-4,12-15,17,19H2,1H3,(H,31,33)
InChIKeyMBXABLQHQJJCOD-UHFFFAOYSA-N
XLogP4.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (CID 58450452) is 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)c1.
What is the InChIKey of 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is MBXABLQHQJJCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c1-21-6-5-7-22(16-21)19-31-28(33)17-24-9-8-23(20-30-24)26-11-10-25(18-27(26)29)34-15-14-32-12-3-2-4-13-32/h5-11,16,18,20H,2-4,12-15,17,19H2,1H3,(H,31,33).
What are the key properties of 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 58450452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).