5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one

C22H25FN4O2 — CID 17491072

IUPAC5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one
SMILESCN(Cc1ccccc1N1CCCCC1)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C22H25FN4O2/c1-25(15-18-7-3-4-8-20(18)26-13-5-2-6-14-26)16-27-22(28)29-21(24-27)17-9-11-19(23)12-10-17/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyXQYZIOJZMSSIEW-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.72
Rot. Bonds6

About 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 17491072) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one
PubChem CID17491072
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one
SMILESCN(Cc1ccccc1N1CCCCC1)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C22H25FN4O2/c1-25(15-18-7-3-4-8-20(18)26-13-5-2-6-14-26)16-27-22(28)29-21(24-27)17-9-11-19(23)12-10-17/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyXQYZIOJZMSSIEW-UHFFFAOYSA-N
XLogP3.72
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one (CID 17491072) is 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one is CN(Cc1ccccc1N1CCCCC1)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is XQYZIOJZMSSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-25(15-18-7-3-4-8-20(18)26-13-5-2-6-14-26)16-27-22(28)29-21(24-27)17-9-11-19(23)12-10-17/h3-4,7-12H,2,5-6,13-16H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 396.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17491072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).