4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

C23H40F3N5O3 — CID 163128663

IUPAC4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESFC(F)(F)OC1CCCC(CN2CCC[C@H]2C2NC(C3CCC(N4CCOCC4)NC3)NO2)C1
InChIInChI=1S/C23H40F3N5O3/c24-23(25,26)33-18-4-1-3-16(13-18)15-31-8-2-5-19(31)22-28-21(29-34-22)17-6-7-20(27-14-17)30-9-11-32-12-10-30/h16-22,27-29H,1-15H2/t16?,17?,18?,19-,20?,21?,22?/m0/s1
InChIKeyYJZHDJQNUQFYNH-PVPDUZPASA-N
MW491.60 g/mol
LogP1.98
Rot. Bonds6

About 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (PubChem CID 163128663) has the molecular formula C23H40F3N5O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
PubChem CID163128663
Molecular FormulaC23H40F3N5O3
Molecular Weight491.60 g/mol
Exact Mass491.31
IUPAC Name4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESFC(F)(F)OC1CCCC(CN2CCC[C@H]2C2NC(C3CCC(N4CCOCC4)NC3)NO2)C1
InChIInChI=1S/C23H40F3N5O3/c24-23(25,26)33-18-4-1-3-16(13-18)15-31-8-2-5-19(31)22-28-21(29-34-22)17-6-7-20(27-14-17)30-9-11-32-12-10-30/h16-22,27-29H,1-15H2/t16?,17?,18?,19-,20?,21?,22?/m0/s1
InChIKeyYJZHDJQNUQFYNH-PVPDUZPASA-N
XLogP1.98
TPSA70.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The IUPAC name of 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (CID 163128663) is 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is FC(F)(F)OC1CCCC(CN2CCC[C@H]2C2NC(C3CCC(N4CCOCC4)NC3)NO2)C1.
What is the InChIKey of 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The InChIKey is YJZHDJQNUQFYNH-PVPDUZPASA-N. The full InChI is InChI=1S/C23H40F3N5O3/c24-23(25,26)33-18-4-1-3-16(13-18)15-31-8-2-5-19(31)22-28-21(29-34-22)17-6-7-20(27-14-17)30-9-11-32-12-10-30/h16-22,27-29H,1-15H2/t16?,17?,18?,19-,20?,21?,22?/m0/s1.
What are the key properties of 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine has a molecular weight of 491.60 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is sourced from PubChem (CID 163128663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).