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[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C18H18F3N3O2 — CID 122251458

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CC(Oc3cc(C(F)(F)F)ccn3)C2)cc1
InChIInChI=1S/C18H18F3N3O2/c1-23(2)14-5-3-12(4-6-14)17(25)24-10-15(11-24)26-16-9-13(7-8-22-16)18(19,20)21/h3-9,15H,10-11H2,1-2H3
InChIKeyPIENSDSBXICPKR-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.07
Rot. Bonds4

About [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251458) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251458
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CC(Oc3cc(C(F)(F)F)ccn3)C2)cc1
InChIInChI=1S/C18H18F3N3O2/c1-23(2)14-5-3-12(4-6-14)17(25)24-10-15(11-24)26-16-9-13(7-8-22-16)18(19,20)21/h3-9,15H,10-11H2,1-2H3
InChIKeyPIENSDSBXICPKR-UHFFFAOYSA-N
XLogP3.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251458) is [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CC(Oc3cc(C(F)(F)F)ccn3)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is PIENSDSBXICPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-23(2)14-5-3-12(4-6-14)17(25)24-10-15(11-24)26-16-9-13(7-8-22-16)18(19,20)21/h3-9,15H,10-11H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 365.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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