2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

C23H28N4O — CID 113209051

IUPAC2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccc(NC(=O)C(C)(C)c3c[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C23H28N4O/c1-23(2,20-16-24-21-7-5-4-6-19(20)21)22(28)25-17-8-10-18(11-9-17)27-14-12-26(3)13-15-27/h4-11,16,24H,12-15H2,1-3H3,(H,25,28)
InChIKeyKOLFNYUUCMABHR-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.84
Rot. Bonds4

About 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 113209051) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID113209051
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccc(NC(=O)C(C)(C)c3c[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C23H28N4O/c1-23(2,20-16-24-21-7-5-4-6-19(20)21)22(28)25-17-8-10-18(11-9-17)27-14-12-26(3)13-15-27/h4-11,16,24H,12-15H2,1-3H3,(H,25,28)
InChIKeyKOLFNYUUCMABHR-UHFFFAOYSA-N
XLogP3.84
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113198136
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108967292
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
CID 113209001
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
CID 172718111

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 113209051) is 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is CN1CCN(c2ccc(NC(=O)C(C)(C)c3c[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is KOLFNYUUCMABHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-23(2,20-16-24-21-7-5-4-6-19(20)21)22(28)25-17-8-10-18(11-9-17)27-14-12-26(3)13-15-27/h4-11,16,24H,12-15H2,1-3H3,(H,25,28).
What are the key properties of 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 113209051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).