2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide

C23H28N4O — CID 46412846

IUPAC2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCN3CCN(c4ccccc4)CC3)cc2c1C
InChIInChI=1S/C23H28N4O/c1-17-18(2)25-22-9-8-19(16-21(17)22)23(28)24-10-11-26-12-14-27(15-13-26)20-6-4-3-5-7-20/h3-9,16,25H,10-15H2,1-2H3,(H,24,28)
InChIKeyLNVLFPLBZRAWQL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.34
Rot. Bonds5

About 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide (PubChem CID 46412846) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
PubChem CID46412846
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCN3CCN(c4ccccc4)CC3)cc2c1C
InChIInChI=1S/C23H28N4O/c1-17-18(2)25-22-9-8-19(16-21(17)22)23(28)24-10-11-26-12-14-27(15-13-26)20-6-4-3-5-7-20/h3-9,16,25H,10-15H2,1-2H3,(H,24,28)
InChIKeyLNVLFPLBZRAWQL-UHFFFAOYSA-N
XLogP3.34
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.34
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-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
3-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 156841417
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42266252
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide (CID 46412846) is 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCN3CCN(c4ccccc4)CC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide?
The InChIKey is LNVLFPLBZRAWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-18(2)25-22-9-8-19(16-21(17)22)23(28)24-10-11-26-12-14-27(15-13-26)20-6-4-3-5-7-20/h3-9,16,25H,10-15H2,1-2H3,(H,24,28).
What are the key properties of 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 46412846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).