[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone

C25H32N2O5S — CID 55898287

IUPAC[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C25H32N2O5S/c1-31-22-8-10-24(11-9-22)33(29,30)26-15-12-20(13-16-26)25(28)27-14-4-6-21(27)17-19-5-3-7-23(18-19)32-2/h3,5,7-11,18,20-21H,4,6,12-17H2,1-2H3
InChIKeyGHTACULJSNZGSW-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.34
Rot. Bonds7

About [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone

[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 55898287) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID55898287
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C25H32N2O5S/c1-31-22-8-10-24(11-9-22)33(29,30)26-15-12-20(13-16-26)25(28)27-14-4-6-21(27)17-19-5-3-7-23(18-19)32-2/h3,5,7-11,18,20-21H,4,6,12-17H2,1-2H3
InChIKeyGHTACULJSNZGSW-UHFFFAOYSA-N
XLogP3.34
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55898300
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498568
[1-(benzenesulfonyl)piperidin-4-yl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498564
4-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 42932614
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55897655
[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 55898168
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 25499909
cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55630204
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409
N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55897771

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone (CID 55898287) is [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is GHTACULJSNZGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-31-22-8-10-24(11-9-22)33(29,30)26-15-12-20(13-16-26)25(28)27-14-4-6-21(27)17-19-5-3-7-23(18-19)32-2/h3,5,7-11,18,20-21H,4,6,12-17H2,1-2H3.
What are the key properties of [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 472.61 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 55898287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).