N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

C24H32N4O+2 — CID 8596498

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCc1ccccc1C[NH+]1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N4O/c1-19-6-2-3-7-21(19)17-27-12-14-28(15-13-27)18-24(29)25-11-10-20-16-26-23-9-5-4-8-22(20)23/h2-9,16,26H,10-15,17-18H2,1H3,(H,25,29)/p+2
InChIKeyYJGGAPFYCSQWSY-UHFFFAOYSA-P
MW392.55 g/mol
LogP0.12
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8596498) has the molecular formula C24H32N4O+2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID8596498
Molecular FormulaC24H32N4O+2
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCc1ccccc1C[NH+]1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N4O/c1-19-6-2-3-7-21(19)17-27-12-14-28(15-13-27)18-24(29)25-11-10-20-16-26-23-9-5-4-8-22(20)23/h2-9,16,26H,10-15,17-18H2,1H3,(H,25,29)/p+2
InChIKeyYJGGAPFYCSQWSY-UHFFFAOYSA-P
XLogP0.12
TPSA53.77 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide with MolForge

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Related Compounds

ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8545802
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8546860
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694727
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 8596498) is N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is Cc1ccccc1C[NH+]1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is YJGGAPFYCSQWSY-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H30N4O/c1-19-6-2-3-7-21(19)17-27-12-14-28(15-13-27)18-24(29)25-11-10-20-16-26-23-9-5-4-8-22(20)23/h2-9,16,26H,10-15,17-18H2,1H3,(H,25,29)/p+2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8596498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).