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

C19H25NO3 — CID 113096108

IUPAC2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C19H25NO3/c1-12(2)19(21)20-7-3-13(4-8-20)17-15-6-10-22-16(15)11-14-5-9-23-18(14)17/h11-13H,3-10H2,1-2H3
InChIKeyUMPLCKCSTAEWBM-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.92
Rot. Bonds2

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

2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 113096108) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one
PubChem CID113096108
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C19H25NO3/c1-12(2)19(21)20-7-3-13(4-8-20)17-15-6-10-22-16(15)11-14-5-9-23-18(14)17/h11-13H,3-10H2,1-2H3
InChIKeyUMPLCKCSTAEWBM-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one (CID 113096108) is 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is UMPLCKCSTAEWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12(2)19(21)20-7-3-13(4-8-20)17-15-6-10-22-16(15)11-14-5-9-23-18(14)17/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 315.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 113096108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).