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

C21H23NO4 — CID 113096179

IUPACfuran-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(Cc2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C21H23NO4/c23-21(18-2-1-9-24-18)22-7-3-14(4-8-22)12-17-16-6-11-25-19(16)13-15-5-10-26-20(15)17/h1-2,9,13-14H,3-8,10-12H2
InChIKeyHUKSLFIQRXTGGX-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.24
Rot. Bonds3

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

furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 113096179) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID113096179
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namefuran-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(Cc2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C21H23NO4/c23-21(18-2-1-9-24-18)22-7-3-14(4-8-22)12-17-16-6-11-25-19(16)13-15-5-10-26-20(15)17/h1-2,9,13-14H,3-8,10-12H2
InChIKeyHUKSLFIQRXTGGX-UHFFFAOYSA-N
XLogP3.24
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 113096170
4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
CID 113199632
[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 51177952
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113096117
(3-fluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096123
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone
CID 113096148
2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
CID 78979831
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone (CID 113096179) is furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(Cc2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is HUKSLFIQRXTGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-21(18-2-1-9-24-18)22-7-3-14(4-8-22)12-17-16-6-11-25-19(16)13-15-5-10-26-20(15)17/h1-2,9,13-14H,3-8,10-12H2.
What are the key properties of furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone?
furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113096179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).