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

C19H31N3O3S — CID 3245725

IUPACN-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-14-26(24,25)22-12-7-10-18(16-22)19(23)20-11-13-21(2)15-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,20,23)
InChIKeyCODMFUBGFKIZFU-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.69
Rot. Bonds9

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

N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3245725) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3245725
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-14-26(24,25)22-12-7-10-18(16-22)19(23)20-11-13-21(2)15-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,20,23)
InChIKeyCODMFUBGFKIZFU-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.69
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-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3245725) is N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is CODMFUBGFKIZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-14-26(24,25)22-12-7-10-18(16-22)19(23)20-11-13-21(2)15-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 1.69, 9 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-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3245725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).