3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine

C16H22N4O3S — CID 70716561

IUPAC3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
SMILESCOCCn1ccnc1C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C16H22N4O3S/c1-23-11-10-19-9-7-18-16(19)14-4-3-8-20(13-14)24(21,22)15-5-2-6-17-12-15/h2,5-7,9,12,14H,3-4,8,10-11,13H2,1H3
InChIKeyFSFFJOXTJJSEJI-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.49
Rot. Bonds6

About 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine

3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine (PubChem CID 70716561) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
PubChem CID70716561
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
SMILESCOCCn1ccnc1C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C16H22N4O3S/c1-23-11-10-19-9-7-18-16(19)14-4-3-8-20(13-14)24(21,22)15-5-2-6-17-12-15/h2,5-7,9,12,14H,3-4,8,10-11,13H2,1H3
InChIKeyFSFFJOXTJJSEJI-UHFFFAOYSA-N
XLogP1.49
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
CID 70733113
3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine
CID 70783584
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
CID 91947112
2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
CID 121117767
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72926882
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
3-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 70768359
methyl 2-[3-(1-pyridin-3-ylsulfonylpiperidin-3-yl)phenyl]acetate
CID 68848076

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine (CID 70716561) is 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine is COCCn1ccnc1C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine?
The InChIKey is FSFFJOXTJJSEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-23-11-10-19-9-7-18-16(19)14-4-3-8-20(13-14)24(21,22)15-5-2-6-17-12-15/h2,5-7,9,12,14H,3-4,8,10-11,13H2,1H3.
What are the key properties of 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine?
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine has a molecular weight of 350.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 70716561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).