1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H24FN3O2 — CID 42606573

IUPAC1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1
InChIInChI=1S/C22H24FN3O2/c1-16-6-7-17(25-12-16)13-24-15-22(23)8-10-26(11-9-22)21(27)19-14-28-20-5-3-2-4-18(19)20/h2-7,12,14,24H,8-11,13,15H2,1H3
InChIKeyGUOJBWOHCJIFQW-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.87
Rot. Bonds5

About 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 42606573) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID42606573
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1
InChIInChI=1S/C22H24FN3O2/c1-16-6-7-17(25-12-16)13-24-15-22(23)8-10-26(11-9-22)21(27)19-14-28-20-5-3-2-4-18(19)20/h2-7,12,14,24H,8-11,13,15H2,1H3
InChIKeyGUOJBWOHCJIFQW-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

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 42606573) is 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1.
What is the InChIKey of 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is GUOJBWOHCJIFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-6-7-17(25-12-16)13-24-15-22(23)8-10-26(11-9-22)21(27)19-14-28-20-5-3-2-4-18(19)20/h2-7,12,14,24H,8-11,13,15H2,1H3.
What are the key properties of 1-benzofuran-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
1-benzofuran-3-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-3-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42606573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).