1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

C20H29N3O4S — CID 90494347

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C20H29N3O4S/c1-15(2)20-21-9-12-22(20)14-16-7-10-23(11-8-16)28(24,25)19-13-17(26-3)5-6-18(19)27-4/h5-6,9,12-13,15-16H,7-8,10-11,14H2,1-4H3
InChIKeyQJLLYDGKDPAZHD-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.12
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (PubChem CID 90494347) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
PubChem CID90494347
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C20H29N3O4S/c1-15(2)20-21-9-12-22(20)14-16-7-10-23(11-8-16)28(24,25)19-13-17(26-3)5-6-18(19)27-4/h5-6,9,12-13,15-16H,7-8,10-11,14H2,1-4H3
InChIKeyQJLLYDGKDPAZHD-UHFFFAOYSA-N
XLogP3.12
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534054
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494392
1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151428
(5-chloro-2-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493407
[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90493403
4-[(2-propan-2-ylimidazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494377
1-butylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494355
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8804057
(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8804115

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (CID 90494347) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is COc1ccc(OC)c(S(=O)(=O)N2CCC(Cn3ccnc3C(C)C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The InChIKey is QJLLYDGKDPAZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15(2)20-21-9-12-22(20)14-16-7-10-23(11-8-16)28(24,25)19-13-17(26-3)5-6-18(19)27-4/h5-6,9,12-13,15-16H,7-8,10-11,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine has a molecular weight of 407.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).