1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H24FN3O2 — CID 42606572

IUPAC1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4o3)CC2)nc1
InChIInChI=1S/C22H24FN3O2/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3
InChIKeyKQYXKGUGIAPQJG-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.87
Rot. Bonds5

About 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 42606572) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID42606572
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4o3)CC2)nc1
InChIInChI=1S/C22H24FN3O2/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3
InChIKeyKQYXKGUGIAPQJG-UHFFFAOYSA-N
XLogP3.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 42606572) is 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4o3)CC2)nc1.
What is the InChIKey of 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is KQYXKGUGIAPQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 381.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42606572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).