(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone

C18H23Cl3N2O3S — CID 55873374

IUPAC(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C18H23Cl3N2O3S/c1-12-2-6-22(7-3-12)18(24)13-4-8-23(9-5-13)27(25,26)17-15(20)10-14(19)11-16(17)21/h10-13H,2-9H2,1H3
InChIKeyULBNRRQOAHXEHU-UHFFFAOYSA-N
MW453.82 g/mol
LogP4.31
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 55873374) has the molecular formula C18H23Cl3N2O3S and a molecular weight of 453.82 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID55873374
Molecular FormulaC18H23Cl3N2O3S
Molecular Weight453.82 g/mol
Exact Mass452.05
IUPAC Name(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C18H23Cl3N2O3S/c1-12-2-6-22(7-3-12)18(24)13-4-8-23(9-5-13)27(25,26)17-15(20)10-14(19)11-16(17)21/h10-13H,2-9H2,1H3
InChIKeyULBNRRQOAHXEHU-UHFFFAOYSA-N
XLogP4.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769479
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028420
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
1-(2-amino-4,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43256211
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
ethyl 2,5-dimethyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate
CID 20938255
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55950973

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone (CID 55873374) is (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is ULBNRRQOAHXEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl3N2O3S/c1-12-2-6-22(7-3-12)18(24)13-4-8-23(9-5-13)27(25,26)17-15(20)10-14(19)11-16(17)21/h10-13H,2-9H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 453.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 55873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).