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

C20H21NO3S — CID 113096117

IUPAC[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C20H21NO3S/c22-20(17-2-1-11-25-17)21-7-3-13(4-8-21)18-15-6-10-23-16(15)12-14-5-9-24-19(14)18/h1-2,11-13H,3-10H2
InChIKeyLVLCBNUQMWJUCW-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.64
Rot. Bonds2

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

[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 113096117) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID113096117
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C20H21NO3S/c22-20(17-2-1-11-25-17)21-7-3-13(4-8-21)18-15-6-10-23-16(15)12-14-5-9-24-19(14)18/h1-2,11-13H,3-10H2
InChIKeyLVLCBNUQMWJUCW-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39820921
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone
CID 113096179
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 113096117) is [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is LVLCBNUQMWJUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c22-20(17-2-1-11-25-17)21-7-3-13(4-8-21)18-15-6-10-23-16(15)12-14-5-9-24-19(14)18/h1-2,11-13H,3-10H2.
What are the key properties of [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 355.46 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 113096117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).