N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide

C17H24N4O3S — CID 132761951

IUPACN-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C17H24N4O3S/c1-25(23,24)21-13-11-20(12-14-21)17(22)18-8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,18,22)
InChIKeyJECSWNOEXLVJDR-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.32
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide

N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 132761951) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID132761951
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C17H24N4O3S/c1-25(23,24)21-13-11-20(12-14-21)17(22)18-8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,18,22)
InChIKeyJECSWNOEXLVJDR-UHFFFAOYSA-N
XLogP1.32
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-(3-indol-1-ylpropyl)-4-methylpiperidine-1-carboxamide
CID 136531373
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 110933615
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide (CID 132761951) is N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCCCn2ccc3ccccc32)CC1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is JECSWNOEXLVJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-25(23,24)21-13-11-20(12-14-21)17(22)18-8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,18,22).
What are the key properties of N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide?
N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 132761951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).