N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

C17H25ClN2O3S — CID 3245010

IUPACN-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O3S/c1-2-12-24(22,23)20-11-3-4-15(13-20)17(21)19-10-9-14-5-7-16(18)8-6-14/h5-8,15H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyFPFJGNVVGJROQP-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3245010) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3245010
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O3S/c1-2-12-24(22,23)20-11-3-4-15(13-20)17(21)19-10-9-14-5-7-16(18)8-6-14/h5-8,15H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyFPFJGNVVGJROQP-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)(phenyl)methanesulfonamide
CID 57888688
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
N-[2-(4-chlorophenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242081
N-[2-(4-chlorophenyl)ethyl]-1-[(2,4-dihydroxy-6-methylpyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 3242505
N-[2-(4-chlorophenyl)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242949
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 4055939
N-[2-(3-methylphenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 5051644
1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 15995005

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3245010) is N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is FPFJGNVVGJROQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-2-12-24(22,23)20-11-3-4-15(13-20)17(21)19-10-9-14-5-7-16(18)8-6-14/h5-8,15H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 372.92 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3245010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).