4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide

C18H23ClN4O2 — CID 110086157

IUPAC4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C
InChIInChI=1S/C18H23ClN4O2/c1-11-13(14-8-12(19)4-5-15(14)21-11)9-17(24)23-7-6-22(3)16(10-23)18(25)20-2/h4-5,8,16,21H,6-7,9-10H2,1-3H3,(H,20,25)
InChIKeyFHDRNTSCWXEXDI-UHFFFAOYSA-N
MW362.86 g/mol
LogP1.56
Rot. Bonds3

About 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide

4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 110086157) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
PubChem CID110086157
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C
InChIInChI=1S/C18H23ClN4O2/c1-11-13(14-8-12(19)4-5-15(14)21-11)9-17(24)23-7-6-22(3)16(10-23)18(25)20-2/h4-5,8,16,21H,6-7,9-10H2,1-3H3,(H,20,25)
InChIKeyFHDRNTSCWXEXDI-UHFFFAOYSA-N
XLogP1.56
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.56
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

4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazine-2-carboxamide
CID 110085668
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide
CID 110086152
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 113211979
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 113211983
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086218
5-chloro-3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 166164206
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 113212000
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide (CID 110086157) is 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C.
What is the InChIKey of 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is FHDRNTSCWXEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11-13(14-8-12(19)4-5-15(14)21-11)9-17(24)23-7-6-22(3)16(10-23)18(25)20-2/h4-5,8,16,21H,6-7,9-10H2,1-3H3,(H,20,25).
What are the key properties of 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).