[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C19H29N5O4S — CID 45171266

IUPAC[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCS(=O)(=O)c1ncc(CN2CCCC(C(=O)c3nccn3C)C2)n1CCOC
InChIInChI=1S/C19H29N5O4S/c1-4-29(26,27)19-21-12-16(24(19)10-11-28-3)14-23-8-5-6-15(13-23)17(25)18-20-7-9-22(18)2/h7,9,12,15H,4-6,8,10-11,13-14H2,1-3H3
InChIKeyRCIGDQXNCQLJOU-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.15
Rot. Bonds9

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

[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 45171266) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID45171266
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC Name[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCS(=O)(=O)c1ncc(CN2CCCC(C(=O)c3nccn3C)C2)n1CCOC
InChIInChI=1S/C19H29N5O4S/c1-4-29(26,27)19-21-12-16(24(19)10-11-28-3)14-23-8-5-6-15(13-23)17(25)18-20-7-9-22(18)2/h7,9,12,15H,4-6,8,10-11,13-14H2,1-3H3
InChIKeyRCIGDQXNCQLJOU-UHFFFAOYSA-N
XLogP1.15
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 45178170
1-(1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanone
CID 45202528
1-[(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45224517
1-[2-(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)ethyl]-2-pyrrolidinone
CID 26401811
[(3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 28391087
[(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 28391089
[(3R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 30853801
[(3S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 30853802
1-[(3R)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
CID 42196435
1-[(3S)-1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
CID 42196437
1-[(3R)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
CID 42461401
1-[(3S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
CID 42461404

Frequently Asked Questions

What is the IUPAC name of [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 45171266) is [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is CCS(=O)(=O)c1ncc(CN2CCCC(C(=O)c3nccn3C)C2)n1CCOC.
What is the InChIKey of [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is RCIGDQXNCQLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-4-29(26,27)19-21-12-16(24(19)10-11-28-3)14-23-8-5-6-15(13-23)17(25)18-20-7-9-22(18)2/h7,9,12,15H,4-6,8,10-11,13-14H2,1-3H3.
What are the key properties of [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 423.54 g/mol, XLogP of 1.15, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 45171266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).