(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone

C18H26F2N4O4 — CID 163348121

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H26F2N4O4/c19-18(20)3-5-24(6-4-18)17(25)14-11-23(7-10-27-14)12-15-21-16(28-22-15)13-1-8-26-9-2-13/h13-14H,1-12H2
InChIKeyLNWLBRGLFKIVQR-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.42
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone (PubChem CID 163348121) has the molecular formula C18H26F2N4O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone
PubChem CID163348121
Molecular FormulaC18H26F2N4O4
Molecular Weight400.43 g/mol
Exact Mass400.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H26F2N4O4/c19-18(20)3-5-24(6-4-18)17(25)14-11-23(7-10-27-14)12-15-21-16(28-22-15)13-1-8-26-9-2-13/h13-14H,1-12H2
InChIKeyLNWLBRGLFKIVQR-UHFFFAOYSA-N
XLogP1.42
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone (CID 163348121) is (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone is O=C(C1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone?
The InChIKey is LNWLBRGLFKIVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O4/c19-18(20)3-5-24(6-4-18)17(25)14-11-23(7-10-27-14)12-15-21-16(28-22-15)13-1-8-26-9-2-13/h13-14H,1-12H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone has a molecular weight of 400.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone is sourced from PubChem (CID 163348121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).