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

C17H21ClN4O2 — CID 110086152

IUPAC1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)Cc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H21ClN4O2/c1-10-12(13-7-11(18)3-4-14(13)21-10)8-16(23)22-6-5-20-9-15(22)17(24)19-2/h3-4,7,15,20-21H,5-6,8-9H2,1-2H3,(H,19,24)
InChIKeyWHWAIWLNJSBDIJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.22
Rot. Bonds3

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

1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide (PubChem CID 110086152) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide
PubChem CID110086152
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)Cc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H21ClN4O2/c1-10-12(13-7-11(18)3-4-14(13)21-10)8-16(23)22-6-5-20-9-15(22)17(24)19-2/h3-4,7,15,20-21H,5-6,8-9H2,1-2H3,(H,19,24)
InChIKeyWHWAIWLNJSBDIJ-UHFFFAOYSA-N
XLogP1.22
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.22
H-Bond Donors ≤ 53
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]-N,1-dimethylpiperazine-2-carboxamide
CID 110086157
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
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
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)-N-(3,4-difluorophenyl)acetamide
CID 113212078
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505165
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide (CID 110086152) is 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)Cc1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is WHWAIWLNJSBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10-12(13-7-11(18)3-4-14(13)21-10)8-16(23)22-6-5-20-9-15(22)17(24)19-2/h3-4,7,15,20-21H,5-6,8-9H2,1-2H3,(H,19,24).
What are the key properties of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide?
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 110086152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).