[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone

C25H32N2O4S — CID 60574167

IUPAC[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCCCN3S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H32N2O4S/c1-19-11-12-20(2)24(18-19)31-21-13-16-26(17-14-21)25(28)23-10-6-7-15-27(23)32(29,30)22-8-4-3-5-9-22/h3-5,8-9,11-12,18,21,23H,6-7,10,13-17H2,1-2H3
InChIKeyUGOLLRRUUPRARS-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.92
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone (PubChem CID 60574167) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone
PubChem CID60574167
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)C3CCCCN3S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H32N2O4S/c1-19-11-12-20(2)24(18-19)31-21-13-16-26(17-14-21)25(28)23-10-6-7-15-27(23)32(29,30)22-8-4-3-5-9-22/h3-5,8-9,11-12,18,21,23H,6-7,10,13-17H2,1-2H3
InChIKeyUGOLLRRUUPRARS-UHFFFAOYSA-N
XLogP3.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
(4-ethylpiperazin-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone
CID 2320019
(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 18227376
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone (CID 60574167) is [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone is Cc1ccc(C)c(OC2CCN(C(=O)C3CCCCN3S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone?
The InChIKey is UGOLLRRUUPRARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-19-11-12-20(2)24(18-19)31-21-13-16-26(17-14-21)25(28)23-10-6-7-15-27(23)32(29,30)22-8-4-3-5-9-22/h3-5,8-9,11-12,18,21,23H,6-7,10,13-17H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone has a molecular weight of 456.61 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 60574167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).