N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide

C24H28N4O2 — CID 172665416

IUPACN-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1NC(=O)C1CCCN(C)C1
InChIInChI=1S/C24H28N4O2/c1-16-5-7-19(13-21(16)27-24(30)20-4-3-11-28(2)15-20)23(29)26-14-17-6-8-18-9-10-25-22(18)12-17/h5-10,12-13,20,25H,3-4,11,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyJSUIZYARPKQJQW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.69
Rot. Bonds5

About N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide

N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide (PubChem CID 172665416) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
PubChem CID172665416
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1NC(=O)C1CCCN(C)C1
InChIInChI=1S/C24H28N4O2/c1-16-5-7-19(13-21(16)27-24(30)20-4-3-11-28(2)15-20)23(29)26-14-17-6-8-18-9-10-25-22(18)12-17/h5-10,12-13,20,25H,3-4,11,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyJSUIZYARPKQJQW-UHFFFAOYSA-N
XLogP3.69
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide;formic acid
CID 172896355
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide
CID 172671198
3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 50982203
(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-[[2-(1-methylpyrrolidin-3-yl)acetyl]amino]benzamide;formic acid
CID 172896691
ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95397578
N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 42650272
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295
formic acid;N-[5-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylphenyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 172910663
N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide
CID 131917940

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide (CID 172665416) is N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1NC(=O)C1CCCN(C)C1.
What is the InChIKey of N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is JSUIZYARPKQJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-5-7-19(13-21(16)27-24(30)20-4-3-11-28(2)15-20)23(29)26-14-17-6-8-18-9-10-25-22(18)12-17/h5-10,12-13,20,25H,3-4,11,14-15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide?
N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 172665416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).