4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine

C20H36N4O3S — CID 45189550

IUPAC4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine
SMILESCCCCn1c(CN2CCCC(CN3CCOCC3)C2)cnc1S(=O)(=O)CC
InChIInChI=1S/C20H36N4O3S/c1-3-5-9-24-19(14-21-20(24)28(25,26)4-2)17-23-8-6-7-18(16-23)15-22-10-12-27-13-11-22/h14,18H,3-13,15-17H2,1-2H3
InChIKeyOWYFKKHHDKBCFX-UHFFFAOYSA-N
MW412.60 g/mol
LogP2.02
Rot. Bonds9

About 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine

4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine (PubChem CID 45189550) has the molecular formula C20H36N4O3S and a molecular weight of 412.60 g/mol. Its IUPAC name is 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine
PubChem CID45189550
Molecular FormulaC20H36N4O3S
Molecular Weight412.60 g/mol
Exact Mass412.25
IUPAC Name4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine
SMILESCCCCn1c(CN2CCCC(CN3CCOCC3)C2)cnc1S(=O)(=O)CC
InChIInChI=1S/C20H36N4O3S/c1-3-5-9-24-19(14-21-20(24)28(25,26)4-2)17-23-8-6-7-18(16-23)15-22-10-12-27-13-11-22/h14,18H,3-13,15-17H2,1-2H3
InChIKeyOWYFKKHHDKBCFX-UHFFFAOYSA-N
XLogP2.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
Sdccgsbi-0114825.P001
CID 28394144
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine (CID 45189550) is 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine is CCCCn1c(CN2CCCC(CN3CCOCC3)C2)cnc1S(=O)(=O)CC.
What is the InChIKey of 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine?
The InChIKey is OWYFKKHHDKBCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3S/c1-3-5-9-24-19(14-21-20(24)28(25,26)4-2)17-23-8-6-7-18(16-23)15-22-10-12-27-13-11-22/h14,18H,3-13,15-17H2,1-2H3.
What are the key properties of 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine?
4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine has a molecular weight of 412.60 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 45189550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).