N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide

C23H24N4O — CID 112843042

IUPACN-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
SMILESCc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C23H24N4O/c1-16-23(20-4-2-3-5-21(20)25-16)18-10-12-27(13-11-18)15-22(28)26-19-8-6-17(14-24)7-9-19/h2-9,18,25H,10-13,15H2,1H3,(H,26,28)
InChIKeyXWDJSGYLHWZEIH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.17
Rot. Bonds4

About N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide

N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide (PubChem CID 112843042) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
PubChem CID112843042
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
SMILESCc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C23H24N4O/c1-16-23(20-4-2-3-5-21(20)25-16)18-10-12-27(13-11-18)15-22(28)26-19-8-6-17(14-24)7-9-19/h2-9,18,25H,10-13,15H2,1H3,(H,26,28)
InChIKeyXWDJSGYLHWZEIH-UHFFFAOYSA-N
XLogP4.17
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506456
N-(3-methoxypropyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506168
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 121116680
2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 140779018
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 121118302
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide (CID 112843042) is N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide is Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is XWDJSGYLHWZEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-23(20-4-2-3-5-21(20)25-16)18-10-12-27(13-11-18)15-22(28)26-19-8-6-17(14-24)7-9-19/h2-9,18,25H,10-13,15H2,1H3,(H,26,28).
What are the key properties of N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide?
N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 112843042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).