3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine

C20H30N4O4S — CID 42196657

IUPAC3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCCS(=O)(=O)c1ncc(CN2CCC(OCc3cccnc3)CC2)n1CCOC
InChIInChI=1S/C20H30N4O4S/c1-3-29(25,26)20-22-14-18(24(20)11-12-27-2)15-23-9-6-19(7-10-23)28-16-17-5-4-8-21-13-17/h4-5,8,13-14,19H,3,6-7,9-12,15-16H2,1-2H3
InChIKeyKAUYGGBHGYGONA-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.90
Rot. Bonds10

About 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 42196657) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID42196657
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCCS(=O)(=O)c1ncc(CN2CCC(OCc3cccnc3)CC2)n1CCOC
InChIInChI=1S/C20H30N4O4S/c1-3-29(25,26)20-22-14-18(24(20)11-12-27-2)15-23-9-6-19(7-10-23)28-16-17-5-4-8-21-13-17/h4-5,8,13-14,19H,3,6-7,9-12,15-16H2,1-2H3
InChIKeyKAUYGGBHGYGONA-UHFFFAOYSA-N
XLogP1.90
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine with MolForge

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Related Compounds

1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine
CID 31016672
(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-propoxypiperidine
CID 42196986
2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 45252050
3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 45207226
1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 42454774
4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25284688
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45205196
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
N-[[(3R)-1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 26411995
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine (CID 42196657) is 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine is CCS(=O)(=O)c1ncc(CN2CCC(OCc3cccnc3)CC2)n1CCOC.
What is the InChIKey of 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is KAUYGGBHGYGONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-3-29(25,26)20-22-14-18(24(20)11-12-27-2)15-23-9-6-19(7-10-23)28-16-17-5-4-8-21-13-17/h4-5,8,13-14,19H,3,6-7,9-12,15-16H2,1-2H3.
What are the key properties of 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 422.55 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 42196657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).