2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone

C19H26N2O3 — CID 86824775

IUPAC2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)CCO1
InChIInChI=1S/C19H26N2O3/c1-14-13-21(9-11-23-14)17-4-7-20(8-5-17)19(22)16-2-3-18-15(12-16)6-10-24-18/h2-3,12,14,17H,4-11,13H2,1H3
InChIKeyPLIXJTODNWQTGS-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.95
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone

2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone (PubChem CID 86824775) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
PubChem CID86824775
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)CCO1
InChIInChI=1S/C19H26N2O3/c1-14-13-21(9-11-23-14)17-4-7-20(8-5-17)19(22)16-2-3-18-15(12-16)6-10-24-18/h2-3,12,14,17H,4-11,13H2,1H3
InChIKeyPLIXJTODNWQTGS-UHFFFAOYSA-N
XLogP1.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone (CID 86824775) is 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone is CC1CN(C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)CCO1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The InChIKey is PLIXJTODNWQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-13-21(9-11-23-14)17-4-7-20(8-5-17)19(22)16-2-3-18-15(12-16)6-10-24-18/h2-3,12,14,17H,4-11,13H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86824775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).