(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

C18H20F3NO4 — CID 131948055

IUPAC(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)OCCO1
InChIInChI=1S/C18H20F3NO4/c1-12-16(25-10-9-24-12)17(23)22-7-5-14(6-8-22)26-15-4-2-3-13(11-15)18(19,20)21/h2-4,11,14H,5-10H2,1H3
InChIKeyKRMLJHJTKAUUJT-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.35
Rot. Bonds3

About (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 131948055) has the molecular formula C18H20F3NO4 and a molecular weight of 371.36 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID131948055
Molecular FormulaC18H20F3NO4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)OCCO1
InChIInChI=1S/C18H20F3NO4/c1-12-16(25-10-9-24-12)17(23)22-7-5-14(6-8-22)26-15-4-2-3-13(11-15)18(19,20)21/h2-4,11,14H,5-10H2,1H3
InChIKeyKRMLJHJTKAUUJT-UHFFFAOYSA-N
XLogP3.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
2-morpholin-2-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70714144
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146135225
(3S)-4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]piperazin-2-one
CID 26325608

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (CID 131948055) is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is CC1=C(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)OCCO1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is KRMLJHJTKAUUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4/c1-12-16(25-10-9-24-12)17(23)22-7-5-14(6-8-22)26-15-4-2-3-13(11-15)18(19,20)21/h2-4,11,14H,5-10H2,1H3.
What are the key properties of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 371.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 131948055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).