[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone

C18H26N2O4S — CID 2931612

IUPAC[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)20-13-5-6-15(14-20)18(21)19-11-3-2-4-12-19/h7-10,15H,2-6,11-14H2,1H3
InChIKeyUUNFVSXAFMNDJP-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.11
Rot. Bonds4

About [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 2931612) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID2931612
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)20-13-5-6-15(14-20)18(21)19-11-3-2-4-12-19/h7-10,15H,2-6,11-14H2,1H3
InChIKeyUUNFVSXAFMNDJP-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
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
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 55803618
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone (CID 2931612) is [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone is COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCCC3)C2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UUNFVSXAFMNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)20-13-5-6-15(14-20)18(21)19-11-3-2-4-12-19/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 366.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2931612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).