3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide

C20H29N3O — CID 71916340

IUPAC3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCC(C)(C)N3CCCCC3)c(C)c2c1
InChIInChI=1S/C20H29N3O/c1-14-8-9-17-16(12-14)15(2)18(22-17)19(24)21-13-20(3,4)23-10-6-5-7-11-23/h8-9,12,22H,5-7,10-11,13H2,1-4H3,(H,21,24)
InChIKeyZBOMMWZCLBRFET-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.78
Rot. Bonds4

About 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide

3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide (PubChem CID 71916340) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide
PubChem CID71916340
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCC(C)(C)N3CCCCC3)c(C)c2c1
InChIInChI=1S/C20H29N3O/c1-14-8-9-17-16(12-14)15(2)18(22-17)19(24)21-13-20(3,4)23-10-6-5-7-11-23/h8-9,12,22H,5-7,10-11,13H2,1-4H3,(H,21,24)
InChIKeyZBOMMWZCLBRFET-UHFFFAOYSA-N
XLogP3.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 70730395
3-methyl-N-[2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51164327
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-5-methyl-1H-indazole-3-carboxamide
CID 78868789
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
N-(2-methyl-2-piperidin-1-ylpropyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55834063
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 30480392
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 34767039
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide (CID 71916340) is 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCC(C)(C)N3CCCCC3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide?
The InChIKey is ZBOMMWZCLBRFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-8-9-17-16(12-14)15(2)18(22-17)19(24)21-13-20(3,4)23-10-6-5-7-11-23/h8-9,12,22H,5-7,10-11,13H2,1-4H3,(H,21,24).
What are the key properties of 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide?
3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71916340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).