(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone

C23H23F2NO3 — CID 159341232

IUPAC(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone
SMILESCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(OC)c2o1
InChIInChI=1S/C23H23F2NO3/c1-3-19-13-18-12-17(14-20(28-2)21(18)29-19)15-4-6-16(7-5-15)22(27)26-10-8-23(24,25)9-11-26/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyZQZHPPWSFPSGAC-UHFFFAOYSA-N
MW399.44 g/mol
LogP5.54
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone (PubChem CID 159341232) has the molecular formula C23H23F2NO3 and a molecular weight of 399.44 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone
PubChem CID159341232
Molecular FormulaC23H23F2NO3
Molecular Weight399.44 g/mol
Exact Mass399.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone
SMILESCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(OC)c2o1
InChIInChI=1S/C23H23F2NO3/c1-3-19-13-18-12-17(14-20(28-2)21(18)29-19)15-4-6-16(7-5-15)22(27)26-10-8-23(24,25)9-11-26/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyZQZHPPWSFPSGAC-UHFFFAOYSA-N
XLogP5.54
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[4-[2-ethyl-7-(3-fluoro-5-methylphenyl)-1-benzofuran-5-yl]phenyl]methanone
CID 160677024
[4-(7-cyclobutyloxy-2-ethyl-1-benzofuran-5-yl)-3-fluorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 148678164
[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenoxy)-1-benzofuran-2-yl]methylcarbamic acid
CID 130177075
[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(3-fluorophenoxy)-1-benzofuran-2-yl]methylcarbamic acid
CID 137370895
[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methylcarbamic acid
CID 130176907
[4-[2-(2-aminoethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;ethene
CID 145262537
tert-butyl N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(2-trimethylsilylethynyl)-1-benzofuran-2-yl]methyl]carbamate
CID 163364010
(4,4-difluoropiperidin-1-yl)-[4-[7-(trifluoromethoxy)-1-benzofuran-5-yl]phenyl]methanone
CID 174899206
(E)-1-(6-amino-3-pyridinyl)-5-[7-(5-chloro-2-methoxyphenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one
CID 157222722
N-[[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-7-(4-methylphenyl)-1-benzofuran-2-yl]methyl]formamide
CID 126611358
3-(6-amino-3-pyridinyl)-N-[[7-(5-chloro-2-methoxyphenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 123851624
(E)-1-(6-amino-3-pyridinyl)-5-[7-methoxy-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one
CID 158468243

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone (CID 159341232) is (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone is CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(OC)c2o1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone?
The InChIKey is ZQZHPPWSFPSGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO3/c1-3-19-13-18-12-17(14-20(28-2)21(18)29-19)15-4-6-16(7-5-15)22(27)26-10-8-23(24,25)9-11-26/h4-7,12-14H,3,8-11H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone has a molecular weight of 399.44 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone is sourced from PubChem (CID 159341232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).