N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide

C25H32N4O — CID 56523326

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NCc2ccccc2N2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C25H32N4O/c1-19(2)17-29-18-22(21-9-5-7-11-24(21)29)25(30)26-16-20-8-4-6-10-23(20)28-14-12-27(3)13-15-28/h4-11,18-19H,12-17H2,1-3H3,(H,26,30)
InChIKeyPCBDNCGLUAFXHL-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.98
Rot. Bonds6

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide (PubChem CID 56523326) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
PubChem CID56523326
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NCc2ccccc2N2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C25H32N4O/c1-19(2)17-29-18-22(21-9-5-7-11-24(21)29)25(30)26-16-20-8-4-6-10-23(20)28-14-12-27(3)13-15-28/h4-11,18-19H,12-17H2,1-3H3,(H,26,30)
InChIKeyPCBDNCGLUAFXHL-UHFFFAOYSA-N
XLogP3.98
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 56517580
[1-(2-methylpropyl)indol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55914067
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 56517242
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517214
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide (CID 56523326) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide is CC(C)Cn1cc(C(=O)NCc2ccccc2N2CCN(C)CC2)c2ccccc21.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is PCBDNCGLUAFXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-19(2)17-29-18-22(21-9-5-7-11-24(21)29)25(30)26-16-20-8-4-6-10-23(20)28-14-12-27(3)13-15-28/h4-11,18-19H,12-17H2,1-3H3,(H,26,30).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 56523326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).