1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine

C24H28N4 — CID 142871654

IUPAC1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine
SMILESC=C(N)c1c[nH]c2ccc(C(=C)N3CCN(Cc4ccccc4)CC3C)cc12
InChIInChI=1S/C24H28N4/c1-17-15-27(16-20-7-5-4-6-8-20)11-12-28(17)19(3)21-9-10-24-22(13-21)23(14-26-24)18(2)25/h4-10,13-14,17,26H,2-3,11-12,15-16,25H2,1H3
InChIKeyONGDFVXXQSHZON-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.27
Rot. Bonds5

About 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine

1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine (PubChem CID 142871654) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine.

Molecular Properties

Compound Name1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine
PubChem CID142871654
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine
SMILESC=C(N)c1c[nH]c2ccc(C(=C)N3CCN(Cc4ccccc4)CC3C)cc12
InChIInChI=1S/C24H28N4/c1-17-15-27(16-20-7-5-4-6-8-20)11-12-28(17)19(3)21-9-10-24-22(13-21)23(14-26-24)18(2)25/h4-10,13-14,17,26H,2-3,11-12,15-16,25H2,1H3
InChIKeyONGDFVXXQSHZON-UHFFFAOYSA-N
XLogP4.27
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-benzyl-2-methylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 163736072
6-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 136580423
2-[6-chloro-5-[4-[(3-chlorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetamide;ethane
CID 142871804
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
CID 18894
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
CID 142871798
1-[4-[(5-chloro-2-hydroxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 77185796
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine?
The IUPAC name of 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine (CID 142871654) is 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine.
What is the SMILES notation for 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine?
The canonical SMILES for 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine is C=C(N)c1c[nH]c2ccc(C(=C)N3CCN(Cc4ccccc4)CC3C)cc12.
What is the InChIKey of 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine?
The InChIKey is ONGDFVXXQSHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-17-15-27(16-20-7-5-4-6-8-20)11-12-28(17)19(3)21-9-10-24-22(13-21)23(14-26-24)18(2)25/h4-10,13-14,17,26H,2-3,11-12,15-16,25H2,1H3.
What are the key properties of 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine?
1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine has a molecular weight of 372.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-benzyl-2-methylpiperazin-1-yl)ethenyl]-1H-indol-3-yl]ethenamine is sourced from PubChem (CID 142871654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).