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

C19H32N4O4S — CID 45224517

IUPAC1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)c1ncc(CN2CCCC(CN3CCCC3=O)C2)n1CCOC
InChIInChI=1S/C19H32N4O4S/c1-3-28(25,26)19-20-12-17(23(19)10-11-27-2)15-21-8-4-6-16(13-21)14-22-9-5-7-18(22)24/h12,16H,3-11,13-15H2,1-2H3
InChIKeyGGQPORBXZDMWAD-UHFFFAOYSA-N
MW412.56 g/mol
LogP1.16
Rot. Bonds9

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

1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 45224517) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID45224517
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)c1ncc(CN2CCCC(CN3CCCC3=O)C2)n1CCOC
InChIInChI=1S/C19H32N4O4S/c1-3-28(25,26)19-20-12-17(23(19)10-11-27-2)15-21-8-4-6-16(13-21)14-22-9-5-7-18(22)24/h12,16H,3-11,13-15H2,1-2H3
InChIKeyGGQPORBXZDMWAD-UHFFFAOYSA-N
XLogP1.16
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45179161

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one (CID 45224517) is 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one is CCS(=O)(=O)c1ncc(CN2CCCC(CN3CCCC3=O)C2)n1CCOC.
What is the InChIKey of 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is GGQPORBXZDMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-3-28(25,26)19-20-12-17(23(19)10-11-27-2)15-21-8-4-6-16(13-21)14-22-9-5-7-18(22)24/h12,16H,3-11,13-15H2,1-2H3.
What are the key properties of 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 412.56 g/mol, XLogP of 1.16, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45224517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).