tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate

C22H39FN4O4 — CID 152794763

IUPACtert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2NOC(C3CCCC(N4CCOCC4)C3F)N2)CC1
InChIInChI=1S/C22H39FN4O4/c1-22(2,3)30-21(28)27-9-7-15(8-10-27)19-24-20(31-25-19)16-5-4-6-17(18(16)23)26-11-13-29-14-12-26/h15-20,24-25H,4-14H2,1-3H3
InChIKeyRCYPLCBPNWFVLY-UHFFFAOYSA-N
MW442.58 g/mol
LogP2.25
Rot. Bonds3

About tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate (PubChem CID 152794763) has the molecular formula C22H39FN4O4 and a molecular weight of 442.58 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
PubChem CID152794763
Molecular FormulaC22H39FN4O4
Molecular Weight442.58 g/mol
Exact Mass442.30
IUPAC Nametert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2NOC(C3CCCC(N4CCOCC4)C3F)N2)CC1
InChIInChI=1S/C22H39FN4O4/c1-22(2,3)30-21(28)27-9-7-15(8-10-27)19-24-20(31-25-19)16-5-4-6-17(18(16)23)26-11-13-29-14-12-26/h15-20,24-25H,4-14H2,1-3H3
InChIKeyRCYPLCBPNWFVLY-UHFFFAOYSA-N
XLogP2.25
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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
tert-butyl 4-[5-[5-methyl-1-(oxetan-3-yl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626066
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
methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626016
tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
CID 82123805
tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
CID 129462828
tert-butyl 4-(2,2-dichloro-3-oxocyclobutyl)piperidine-1-carboxylate
CID 155600525
tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 176884220
tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
CID 143233414
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
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate (CID 152794763) is tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2NOC(C3CCCC(N4CCOCC4)C3F)N2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is RCYPLCBPNWFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39FN4O4/c1-22(2,3)30-21(28)27-9-7-15(8-10-27)19-24-20(31-25-19)16-5-4-6-17(18(16)23)26-11-13-29-14-12-26/h15-20,24-25H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 442.58 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 152794763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).