[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone

C26H34N2O5S — CID 55803618

IUPAC[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)C2)cc1
InChIInChI=1S/C26H34N2O5S/c1-19-6-4-7-20(2)25(19)33-23-13-16-27(17-14-23)26(29)21-8-5-15-28(18-21)34(30,31)24-11-9-22(32-3)10-12-24/h4,6-7,9-12,21,23H,5,8,13-18H2,1-3H3
InChIKeyBMFNYDRIIPSNGV-UHFFFAOYSA-N
MW486.63 g/mol
LogP3.78
Rot. Bonds6

About [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone

[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 55803618) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID55803618
Molecular FormulaC26H34N2O5S
Molecular Weight486.63 g/mol
Exact Mass486.22
IUPAC Name[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)C2)cc1
InChIInChI=1S/C26H34N2O5S/c1-19-6-4-7-20(2)25(19)33-23-13-16-27(17-14-23)26(29)21-8-5-15-28(18-21)34(30,31)24-11-9-22(32-3)10-12-24/h4,6-7,9-12,21,23H,5,8,13-18H2,1-3H3
InChIKeyBMFNYDRIIPSNGV-UHFFFAOYSA-N
XLogP3.78
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 51218805
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 41321603
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
N-(3-acetamido-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24673336

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone (CID 55803618) is [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone is COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)C2)cc1.
What is the InChIKey of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is BMFNYDRIIPSNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-19-6-4-7-20(2)25(19)33-23-13-16-27(17-14-23)26(29)21-8-5-15-28(18-21)34(30,31)24-11-9-22(32-3)10-12-24/h4,6-7,9-12,21,23H,5,8,13-18H2,1-3H3.
What are the key properties of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 486.63 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 55803618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).