(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

C20H26N2O2 — CID 70731536

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CC(N4CCCCC4C)C3)c(C)c2c1
InChIInChI=1S/C20H26N2O2/c1-13-7-8-18-17(10-13)15(3)19(24-18)20(23)21-11-16(12-21)22-9-5-4-6-14(22)2/h7-8,10,14,16H,4-6,9,11-12H2,1-3H3
InChIKeyNIXRCKBFBOBEAB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.75
Rot. Bonds2

About (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 70731536) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID70731536
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CC(N4CCCCC4C)C3)c(C)c2c1
InChIInChI=1S/C20H26N2O2/c1-13-7-8-18-17(10-13)15(3)19(24-18)20(23)21-11-16(12-21)22-9-5-4-6-14(22)2/h7-8,10,14,16H,4-6,9,11-12H2,1-3H3
InChIKeyNIXRCKBFBOBEAB-UHFFFAOYSA-N
XLogP3.75
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (CID 70731536) is (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CC(N4CCCCC4C)C3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is NIXRCKBFBOBEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-7-8-18-17(10-13)15(3)19(24-18)20(23)21-11-16(12-21)22-9-5-4-6-14(22)2/h7-8,10,14,16H,4-6,9,11-12H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 70731536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).