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

C18H21FN2O2 — CID 118763819

IUPAC(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCC1CCCCN1C1CN(C(=O)c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C18H21FN2O2/c1-12-4-2-3-7-21(12)15-10-20(11-15)18(22)17-9-13-8-14(19)5-6-16(13)23-17/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3
InChIKeyVXKXCKUUSIVOMP-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.27
Rot. Bonds2

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

(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 118763819) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID118763819
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCC1CCCCN1C1CN(C(=O)c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C18H21FN2O2/c1-12-4-2-3-7-21(12)15-10-20(11-15)18(22)17-9-13-8-14(19)5-6-16(13)23-17/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3
InChIKeyVXKXCKUUSIVOMP-UHFFFAOYSA-N
XLogP3.27
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (CID 118763819) is (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is CC1CCCCN1C1CN(C(=O)c2cc3cc(F)ccc3o2)C1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is VXKXCKUUSIVOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-4-2-3-7-21(12)15-10-20(11-15)18(22)17-9-13-8-14(19)5-6-16(13)23-17/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 118763819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).