(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone

C24H28Cl2N2O3S — CID 26590906

IUPAC(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H28Cl2N2O3S/c25-21-7-4-8-22(26)23(21)32(30,31)28-15-11-20(12-16-28)24(29)27-13-9-19(10-14-27)17-18-5-2-1-3-6-18/h1-8,19-20H,9-17H2
InChIKeyDHCVLUDYZPMLIT-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.88
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 26590906) has the molecular formula C24H28Cl2N2O3S and a molecular weight of 495.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID26590906
Molecular FormulaC24H28Cl2N2O3S
Molecular Weight495.47 g/mol
Exact Mass494.12
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H28Cl2N2O3S/c25-21-7-4-8-22(26)23(21)32(30,31)28-15-11-20(12-16-28)24(29)27-13-9-19(10-14-27)17-18-5-2-1-3-6-18/h1-8,19-20H,9-17H2
InChIKeyDHCVLUDYZPMLIT-UHFFFAOYSA-N
XLogP4.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769479
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 55566414
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
4-(4-benzylpiperidin-1-yl)sulfonyl-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 21138806
(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
CID 110855778
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
(4-phenylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 39580157
[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
CID 134016677

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone (CID 26590906) is (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is DHCVLUDYZPMLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O3S/c25-21-7-4-8-22(26)23(21)32(30,31)28-15-11-20(12-16-28)24(29)27-13-9-19(10-14-27)17-18-5-2-1-3-6-18/h1-8,19-20H,9-17H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 495.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 26590906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).