(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone

C20H30N2O4S — CID 51218805

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)CC(C)C3)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15-11-16(2)13-21(12-15)20(23)17-5-4-10-22(14-17)27(24,25)19-8-6-18(26-3)7-9-19/h6-9,15-17H,4-5,10-14H2,1-3H3
InChIKeyYULQAILDNIWFMM-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.60
Rot. Bonds4

About (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 51218805) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID51218805
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)CC(C)C3)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15-11-16(2)13-21(12-15)20(23)17-5-4-10-22(14-17)27(24,25)19-8-6-18(26-3)7-9-19/h6-9,15-17H,4-5,10-14H2,1-3H3
InChIKeyYULQAILDNIWFMM-UHFFFAOYSA-N
XLogP2.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
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
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
(5-methyl-2-oxooxolan-3-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55427768
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 55803618
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone (CID 51218805) is (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone is COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CC(C)CC(C)C3)C2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is YULQAILDNIWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-11-16(2)13-21(12-15)20(23)17-5-4-10-22(14-17)27(24,25)19-8-6-18(26-3)7-9-19/h6-9,15-17H,4-5,10-14H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 51218805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).