4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine

C20H27FN4O2 — CID 95720641

IUPAC4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
SMILESFc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCOCC3)o2)c1
InChIInChI=1S/C20H27FN4O2/c21-17-5-3-4-16(14-17)20-23-22-19(27-20)15-25-8-2-1-6-18(25)7-9-24-10-12-26-13-11-24/h3-5,14,18H,1-2,6-13,15H2/t18-/m0/s1
InChIKeyHJUPJDAUSLZNIS-SFHVURJKSA-N
MW374.46 g/mol
LogP2.95
Rot. Bonds6

About 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine

4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine (PubChem CID 95720641) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
PubChem CID95720641
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
SMILESFc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCOCC3)o2)c1
InChIInChI=1S/C20H27FN4O2/c21-17-5-3-4-16(14-17)20-23-22-19(27-20)15-25-8-2-1-6-18(25)7-9-24-10-12-26-13-11-24/h3-5,14,18H,1-2,6-13,15H2/t18-/m0/s1
InChIKeyHJUPJDAUSLZNIS-SFHVURJKSA-N
XLogP2.95
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine with MolForge

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Related Compounds

2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95721312
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730107
4-[2-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56895170
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine
CID 70726930
4-[2-[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95718058
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312862
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
2-(3-fluorophenyl)-5-[[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methyl]-1,3,4-oxadiazole;formic acid
CID 171317086
2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95132226
4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 47025430

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine (CID 95720641) is 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine is Fc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCOCC3)o2)c1.
What is the InChIKey of 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine?
The InChIKey is HJUPJDAUSLZNIS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27FN4O2/c21-17-5-3-4-16(14-17)20-23-22-19(27-20)15-25-8-2-1-6-18(25)7-9-24-10-12-26-13-11-24/h3-5,14,18H,1-2,6-13,15H2/t18-/m0/s1.
What are the key properties of 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine?
4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine has a molecular weight of 374.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine is sourced from PubChem (CID 95720641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).