N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C22H23F2N3O4 — CID 163380365

IUPACN-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1cccc(COc2ccc3oc(C)c(C(=O)NC4CCNCC4(F)F)c3c2)n1
InChIInChI=1S/C22H23F2N3O4/c1-13-20(21(28)27-18-8-9-25-12-22(18,23)24)16-10-15(6-7-17(16)31-13)30-11-14-4-3-5-19(26-14)29-2/h3-7,10,18,25H,8-9,11-12H2,1-2H3,(H,27,28)
InChIKeyKBIAXQMDLQCNDG-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.45
Rot. Bonds6

About N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163380365) has the molecular formula C22H23F2N3O4 and a molecular weight of 431.44 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163380365
Molecular FormulaC22H23F2N3O4
Molecular Weight431.44 g/mol
Exact Mass431.17
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1cccc(COc2ccc3oc(C)c(C(=O)NC4CCNCC4(F)F)c3c2)n1
InChIInChI=1S/C22H23F2N3O4/c1-13-20(21(28)27-18-8-9-25-12-22(18,23)24)16-10-15(6-7-17(16)31-13)30-11-14-4-3-5-19(26-14)29-2/h3-7,10,18,25H,8-9,11-12H2,1-2H3,(H,27,28)
InChIKeyKBIAXQMDLQCNDG-UHFFFAOYSA-N
XLogP3.45
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 163380365) is N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is COc1cccc(COc2ccc3oc(C)c(C(=O)NC4CCNCC4(F)F)c3c2)n1.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is KBIAXQMDLQCNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4/c1-13-20(21(28)27-18-8-9-25-12-22(18,23)24)16-10-15(6-7-17(16)31-13)30-11-14-4-3-5-19(26-14)29-2/h3-7,10,18,25H,8-9,11-12H2,1-2H3,(H,27,28).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-5-[(6-methoxy-2-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).