1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone

C21H27N3O3S — CID 24793988

IUPAC1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCC(N(C)CCc3ccccn3)C2)cc1
InChIInChI=1S/C21H27N3O3S/c1-17(25)18-8-10-21(11-9-18)28(26,27)24-14-5-7-20(16-24)23(2)15-12-19-6-3-4-13-22-19/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3
InChIKeyJXUYKDFZMHGEEQ-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.61
Rot. Bonds7

About 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone

1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 24793988) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID24793988
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCC(N(C)CCc3ccccn3)C2)cc1
InChIInChI=1S/C21H27N3O3S/c1-17(25)18-8-10-21(11-9-18)28(26,27)24-14-5-7-20(16-24)23(2)15-12-19-6-3-4-13-22-19/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3
InChIKeyJXUYKDFZMHGEEQ-UHFFFAOYSA-N
XLogP2.61
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone with MolForge

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Related Compounds

4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
Cnv-2197944
CID 44595848
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 3712018
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
N,N-dimethyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]benzenesulfonamide
CID 16304783
1-(4-{4-[(Pyridin-3-yl)methyl]piperazin-1-yl}phenyl)ethan-1-one
CID 757138
4-(azepan-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2540422
3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmethyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358923

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone (CID 24793988) is 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCCC(N(C)CCc3ccccn3)C2)cc1.
What is the InChIKey of 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is JXUYKDFZMHGEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17(25)18-8-10-21(11-9-18)28(26,27)24-14-5-7-20(16-24)23(2)15-12-19-6-3-4-13-22-19/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3.
What are the key properties of 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 401.53 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 24793988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).