(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone

C22H21F2NO3 — CID 113096143

IUPAC(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C22H21F2NO3/c23-17-2-1-15(11-18(17)24)22(26)25-7-3-13(4-8-25)20-16-6-10-27-19(16)12-14-5-9-28-21(14)20/h1-2,11-13H,3-10H2
InChIKeyKVYZMGMTHLCRIR-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.85
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone (PubChem CID 113096143) has the molecular formula C22H21F2NO3 and a molecular weight of 385.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
PubChem CID113096143
Molecular FormulaC22H21F2NO3
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC Name(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C22H21F2NO3/c23-17-2-1-15(11-18(17)24)22(26)25-7-3-13(4-8-25)20-16-6-10-27-19(16)12-14-5-9-28-21(14)20/h1-2,11-13H,3-10H2
InChIKeyKVYZMGMTHLCRIR-UHFFFAOYSA-N
XLogP3.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096123
(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096138
[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113096117
2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one
CID 113096108
2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone
CID 113096148
4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclohexan-1-ol
CID 116986304
3,4-difluoro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095438
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone (CID 113096143) is (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
The InChIKey is KVYZMGMTHLCRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO3/c23-17-2-1-15(11-18(17)24)22(26)25-7-3-13(4-8-25)20-16-6-10-27-19(16)12-14-5-9-28-21(14)20/h1-2,11-13H,3-10H2.
What are the key properties of (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone has a molecular weight of 385.41 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113096143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).