3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine

C22H34N4O3S — CID 45207226

IUPAC3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCOCCn1c(CN2CCCCC2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C22H34N4O3S/c1-22(2,3)17-30(27,28)21-24-15-19(26(21)12-13-29-4)16-25-11-6-5-9-20(25)18-8-7-10-23-14-18/h7-8,10,14-15,20H,5-6,9,11-13,16-17H2,1-4H3
InChIKeyJWTCMTDMRSSPTJ-UHFFFAOYSA-N
MW434.61 g/mol
LogP3.47
Rot. Bonds8

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

3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 45207226) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID45207226
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCOCCn1c(CN2CCCCC2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C22H34N4O3S/c1-22(2,3)17-30(27,28)21-24-15-19(26(21)12-13-29-4)16-25-11-6-5-9-20(25)18-8-7-10-23-14-18/h7-8,10,14-15,20H,5-6,9,11-13,16-17H2,1-4H3
InChIKeyJWTCMTDMRSSPTJ-UHFFFAOYSA-N
XLogP3.47
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 42196622
2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 45252050
N-[[(3R)-1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 26411995
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136558630
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 45245542
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 45207226) is 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine is COCCn1c(CN2CCCCC2c2cccnc2)cnc1S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is JWTCMTDMRSSPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-22(2,3)17-30(27,28)21-24-15-19(26(21)12-13-29-4)16-25-11-6-5-9-20(25)18-8-7-10-23-14-18/h7-8,10,14-15,20H,5-6,9,11-13,16-17H2,1-4H3.
What are the key properties of 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine has a molecular weight of 434.61 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 45207226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).