1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one

C21H27FN4O3 — CID 137439351

IUPAC1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(-c3cccc(N4CCOCC4)c3F)n2)CC1
InChIInChI=1S/C21H27FN4O3/c1-14(2)21(27)26-8-6-15(7-9-26)19-23-20(29-24-19)16-4-3-5-17(18(16)22)25-10-12-28-13-11-25/h3-5,14-15H,6-13H2,1-2H3
InChIKeyKXDDEVCIUYOUKF-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 137439351) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID137439351
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC Name1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(-c3cccc(N4CCOCC4)c3F)n2)CC1
InChIInChI=1S/C21H27FN4O3/c1-14(2)21(27)26-8-6-15(7-9-26)19-23-20(29-24-19)16-4-3-5-17(18(16)22)25-10-12-28-13-11-25/h3-5,14-15H,6-13H2,1-2H3
InChIKeyKXDDEVCIUYOUKF-UHFFFAOYSA-N
XLogP3.07
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137439694
tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142520672
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121898
2-(3,5-dimethoxyphenyl)-1-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121795
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 137439351) is 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2noc(-c3cccc(N4CCOCC4)c3F)n2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KXDDEVCIUYOUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-14(2)21(27)26-8-6-15(7-9-26)19-23-20(29-24-19)16-4-3-5-17(18(16)22)25-10-12-28-13-11-25/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 402.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 137439351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).