(4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone

C23H23FN2O4 — CID 10158477

IUPAC(4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nc2ccc3c(c2o1)OC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)CO3
InChIInChI=1S/C23H23FN2O4/c1-14-25-19-6-7-20-23(22(19)29-14)30-18(13-28-20)12-26-10-8-16(9-11-26)21(27)15-2-4-17(24)5-3-15/h2-7,16,18H,8-13H2,1H3
InChIKeyGKJAXFJSCIYERG-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.01
Rot. Bonds4

About (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone (PubChem CID 10158477) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone
PubChem CID10158477
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nc2ccc3c(c2o1)OC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)CO3
InChIInChI=1S/C23H23FN2O4/c1-14-25-19-6-7-20-23(22(19)29-14)30-18(13-28-20)12-26-10-8-16(9-11-26)21(27)15-2-4-17(24)5-3-15/h2-7,16,18H,8-13H2,1H3
InChIKeyGKJAXFJSCIYERG-UHFFFAOYSA-N
XLogP4.01
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone (CID 10158477) is (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone is Cc1nc2ccc3c(c2o1)OC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)CO3.
What is the InChIKey of (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is GKJAXFJSCIYERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-14-25-19-6-7-20-23(22(19)29-14)30-18(13-28-20)12-26-10-8-16(9-11-26)21(27)15-2-4-17(24)5-3-15/h2-7,16,18H,8-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 410.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 10158477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).