1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C20H34N4O4S — CID 26401811

IUPAC1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)c1ncc(CN2CCC(CCN3CCCC3=O)CC2)n1CCOC
InChIInChI=1S/C20H34N4O4S/c1-3-29(26,27)20-21-15-18(24(20)13-14-28-2)16-22-10-6-17(7-11-22)8-12-23-9-4-5-19(23)25/h15,17H,3-14,16H2,1-2H3
InChIKeyZAMURAQCPDZUBQ-UHFFFAOYSA-N
MW426.58 g/mol
LogP1.55
Rot. Bonds10

About 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 26401811) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID26401811
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)c1ncc(CN2CCC(CCN3CCCC3=O)CC2)n1CCOC
InChIInChI=1S/C20H34N4O4S/c1-3-29(26,27)20-21-15-18(24(20)13-14-28-2)16-22-10-6-17(7-11-22)8-12-23-9-4-5-19(23)25/h15,17H,3-14,16H2,1-2H3
InChIKeyZAMURAQCPDZUBQ-UHFFFAOYSA-N
XLogP1.55
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
ethyl 4-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1-piperazinecarboxylate
CID 28099173
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28374132
ethyl 4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinecarboxylate
CID 28732182
4-({1-(cyclohexylmethyl)-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)morpholine
CID 29085530
1-(2-methoxyethyl)-2-[(3-methylbutyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42094398
(3S)-1-isobutyl-4-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-methyl-2-piperazinone
CID 42098285
1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
CID 42520757
5-{[{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}(isopropyl)amino]methyl}-2-pyrrolidinone
CID 45170410
(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 45171266
4-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45178507

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 26401811) is 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is CCS(=O)(=O)c1ncc(CN2CCC(CCN3CCCC3=O)CC2)n1CCOC.
What is the InChIKey of 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ZAMURAQCPDZUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-3-29(26,27)20-21-15-18(24(20)13-14-28-2)16-22-10-6-17(7-11-22)8-12-23-9-4-5-19(23)25/h15,17H,3-14,16H2,1-2H3.
What are the key properties of 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 426.58 g/mol, XLogP of 1.55, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 26401811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).