4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine

C20H36N4O3S — CID 45187025

IUPAC4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C)Cn1c(CN2CCC(C(C)N3CCOCC3)CC2)cnc1S(C)(=O)=O
InChIInChI=1S/C20H36N4O3S/c1-16(2)14-24-19(13-21-20(24)28(4,25)26)15-22-7-5-18(6-8-22)17(3)23-9-11-27-12-10-23/h13,16-18H,5-12,14-15H2,1-4H3
InChIKeyNUOJOXZJUOBTOX-UHFFFAOYSA-N
MW412.60 g/mol
LogP1.88
Rot. Bonds7

About 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 45187025) has the molecular formula C20H36N4O3S and a molecular weight of 412.60 g/mol. Its IUPAC name is 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID45187025
Molecular FormulaC20H36N4O3S
Molecular Weight412.60 g/mol
Exact Mass412.25
IUPAC Name4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C)Cn1c(CN2CCC(C(C)N3CCOCC3)CC2)cnc1S(C)(=O)=O
InChIInChI=1S/C20H36N4O3S/c1-16(2)14-24-19(13-21-20(24)28(4,25)26)15-22-7-5-18(6-8-22)17(3)23-9-11-27-12-10-23/h13,16-18H,5-12,14-15H2,1-4H3
InChIKeyNUOJOXZJUOBTOX-UHFFFAOYSA-N
XLogP1.88
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine (CID 45187025) is 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine is CC(C)Cn1c(CN2CCC(C(C)N3CCOCC3)CC2)cnc1S(C)(=O)=O.
What is the InChIKey of 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is NUOJOXZJUOBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3S/c1-16(2)14-24-19(13-21-20(24)28(4,25)26)15-22-7-5-18(6-8-22)17(3)23-9-11-27-12-10-23/h13,16-18H,5-12,14-15H2,1-4H3.
What are the key properties of 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 412.60 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 45187025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).