N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C20H30N4O2+2 — CID 7117693

IUPACN-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCC[NH+]1CC[NH+](CCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C20H28N4O2/c1-3-23-11-13-24(14-12-23)10-6-9-21-20(26)19(25)18-15(2)22-17-8-5-4-7-16(17)18/h4-5,7-8,22H,3,6,9-14H2,1-2H3,(H,21,26)/p+2
InChIKeyAINJVAXUCVNVMP-UHFFFAOYSA-P
MW358.49 g/mol
LogP-1.03
Rot. Bonds7

About N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7117693) has the molecular formula C20H30N4O2+2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID7117693
Molecular FormulaC20H30N4O2+2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCC[NH+]1CC[NH+](CCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C20H28N4O2/c1-3-23-11-13-24(14-12-23)10-6-9-21-20(26)19(25)18-15(2)22-17-8-5-4-7-16(17)18/h4-5,7-8,22H,3,6,9-14H2,1-2H3,(H,21,26)/p+2
InChIKeyAINJVAXUCVNVMP-UHFFFAOYSA-P
XLogP-1.03
TPSA70.84 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 47049339
N-[(2-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 2985901
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39046052
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556340
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
CID 52513385
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 7117693) is N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is CC[NH+]1CC[NH+](CCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is AINJVAXUCVNVMP-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H28N4O2/c1-3-23-11-13-24(14-12-23)10-6-9-21-20(26)19(25)18-15(2)22-17-8-5-4-7-16(17)18/h4-5,7-8,22H,3,6,9-14H2,1-2H3,(H,21,26)/p+2.
What are the key properties of N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 358.49 g/mol, XLogP of -1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7117693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).