N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide

C18H29N3O3S — CID 3243104

IUPACN-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O3S/c1-3-25(23,24)21-12-7-10-17(15-21)18(22)19-11-13-20(2)14-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,19,22)
InChIKeyHFHODISSPBCMBX-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.30
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 3243104) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID3243104
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O3S/c1-3-25(23,24)21-12-7-10-17(15-21)18(22)19-11-13-20(2)14-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,19,22)
InChIKeyHFHODISSPBCMBX-UHFFFAOYSA-N
XLogP1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
N-Benzyl-2-((phenylmethyl)sulfonamido)acetamide
CID 9104171
N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 71716253
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
CID 25134249
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
N-{2-[ethyl(phenyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236037
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3236414
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 3243104) is N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is HFHODISSPBCMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-3-25(23,24)21-12-7-10-17(15-21)18(22)19-11-13-20(2)14-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3243104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).