1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide

C23H28N4O — CID 10547563

IUPAC1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H28N4O/c1-25-13-15-26(16-14-25)12-11-24-23(28)21-18-27(17-19-7-3-2-4-8-19)22-10-6-5-9-20(21)22/h2-10,18H,11-17H2,1H3,(H,24,28)
InChIKeyCSPGBXFZAOMDLS-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.67
Rot. Bonds6

About 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide

1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide (PubChem CID 10547563) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
PubChem CID10547563
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H28N4O/c1-25-13-15-26(16-14-25)12-11-24-23(28)21-18-27(17-19-7-3-2-4-8-19)22-10-6-5-9-20(21)22/h2-10,18H,11-17H2,1H3,(H,24,28)
InChIKeyCSPGBXFZAOMDLS-UHFFFAOYSA-N
XLogP2.67
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
CID 177344342
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
[1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11559687
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
CID 26783316

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide (CID 10547563) is 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide is CN1CCN(CCNC(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide?
The InChIKey is CSPGBXFZAOMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-25-13-15-26(16-14-25)12-11-24-23(28)21-18-27(17-19-7-3-2-4-8-19)22-10-6-5-9-20(21)22/h2-10,18H,11-17H2,1H3,(H,24,28).
What are the key properties of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide?
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 10547563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).