1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide

C19H24N2O3S — CID 51211462

IUPAC1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O3S/c1-3-25(23,24)21-12-10-16(11-13-21)19(22)20(2)18-9-8-15-6-4-5-7-17(15)14-18/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyHLOWBEJNKIEHJH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.86
Rot. Bonds4

About 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide

1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide (PubChem CID 51211462) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide
PubChem CID51211462
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O3S/c1-3-25(23,24)21-12-10-16(11-13-21)19(22)20(2)18-9-8-15-6-4-5-7-17(15)14-18/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyHLOWBEJNKIEHJH-UHFFFAOYSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-methyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 115159907
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55710323
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065
N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 113006264
4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 26904305
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide (CID 51211462) is 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
The InChIKey is HLOWBEJNKIEHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-25(23,24)21-12-10-16(11-13-21)19(22)20(2)18-9-8-15-6-4-5-7-17(15)14-18/h4-9,14,16H,3,10-13H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51211462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).