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

C19H25NO3 — CID 113096169

IUPAC1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C19H25NO3/c1-2-18(21)20-7-3-13(4-8-20)11-16-15-6-10-22-17(15)12-14-5-9-23-19(14)16/h12-13H,2-11H2,1H3
InChIKeyXZZCYKNXBQNBNI-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.75
Rot. Bonds3

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

1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 113096169) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID113096169
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C19H25NO3/c1-2-18(21)20-7-3-13(4-8-20)11-16-15-6-10-22-17(15)12-14-5-9-23-19(14)16/h12-13H,2-11H2,1H3
InChIKeyXZZCYKNXBQNBNI-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 113096169) is 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is XZZCYKNXBQNBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-18(21)20-7-3-13(4-8-20)11-16-15-6-10-22-17(15)12-14-5-9-23-19(14)16/h12-13H,2-11H2,1H3.
What are the key properties of 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one?
1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 315.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 113096169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).