methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate

C18H31FN4O4 — CID 154626016

IUPACmethyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2NOC(C3CC(C4CCOC4)NCC3F)N2)CC1
InChIInChI=1S/C18H31FN4O4/c1-25-18(24)23-5-2-11(3-6-23)16-21-17(27-22-16)13-8-15(20-9-14(13)19)12-4-7-26-10-12/h11-17,20-22H,2-10H2,1H3
InChIKeyOSPNCRILKJUZPS-UHFFFAOYSA-N
MW386.47 g/mol
LogP0.59
Rot. Bonds3

About methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate

methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate (PubChem CID 154626016) has the molecular formula C18H31FN4O4 and a molecular weight of 386.47 g/mol. Its IUPAC name is methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
PubChem CID154626016
Molecular FormulaC18H31FN4O4
Molecular Weight386.47 g/mol
Exact Mass386.23
IUPAC Namemethyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2NOC(C3CC(C4CCOC4)NCC3F)N2)CC1
InChIInChI=1S/C18H31FN4O4/c1-25-18(24)23-5-2-11(3-6-23)16-21-17(27-22-16)13-8-15(20-9-14(13)19)12-4-7-26-10-12/h11-17,20-22H,2-10H2,1H3
InChIKeyOSPNCRILKJUZPS-UHFFFAOYSA-N
XLogP0.59
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[5-[4-fluoro-1-(oxolan-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626002
cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 148941330
propan-2-yl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 177106669
tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 177106667
tert-butyl 4-[5-[1-[(3R)-oxolan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindazol-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626013
1-[4-[5-[4-(aminomethyl)-3-fluoro-5-(oxetan-3-ylamino)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 177106665
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
(1-methylcyclopropyl) 4-[5-[2-(3,3-difluoropyrrolidin-1-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626067
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
CID 142573497
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
(1-methylcyclopropyl) 4-[5-[1-(oxetan-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrazolo[3,4-c]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154625986
methyl morpholine-4-carboxylate
CID 12575354

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate (CID 154626016) is methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(C2NOC(C3CC(C4CCOC4)NCC3F)N2)CC1.
What is the InChIKey of methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is OSPNCRILKJUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN4O4/c1-25-18(24)23-5-2-11(3-6-23)16-21-17(27-22-16)13-8-15(20-9-14(13)19)12-4-7-26-10-12/h11-17,20-22H,2-10H2,1H3.
What are the key properties of methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 154626016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).