5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C18H22N4O3 — CID 127318357

IUPAC5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESO=C1CCC(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CN1
InChIInChI=1S/C18H22N4O3/c23-16-5-4-15(11-19-16)18-20-17(21-25-18)14-3-1-2-13(10-14)12-22-6-8-24-9-7-22/h1-3,10,15H,4-9,11-12H2,(H,19,23)
InChIKeyVTPNHLPUVALDBN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.56
Rot. Bonds4

About 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 127318357) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID127318357
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESO=C1CCC(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CN1
InChIInChI=1S/C18H22N4O3/c23-16-5-4-15(11-19-16)18-20-17(21-25-18)14-3-1-2-13(10-14)12-22-6-8-24-9-7-22/h1-3,10,15H,4-9,11-12H2,(H,19,23)
InChIKeyVTPNHLPUVALDBN-UHFFFAOYSA-N
XLogP1.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 156589446
3-[[4-oxo-8-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundec-1-yl]methyl]benzonitrile
CID 110200529
4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 124566854
N-[1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 46099786
N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 92760760
5-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]azepan-2-one
CID 167979132
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120840366

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 127318357) is 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is O=C1CCC(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CN1.
What is the InChIKey of 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is VTPNHLPUVALDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-5-4-15(11-19-16)18-20-17(21-25-18)14-3-1-2-13(10-14)12-22-6-8-24-9-7-22/h1-3,10,15H,4-9,11-12H2,(H,19,23).
What are the key properties of 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 127318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).