ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate

C19H27N4O3+ — CID 8545802

IUPACethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
SMILESCCOC(=O)N1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H26N4O3/c1-2-26-19(25)23-11-9-22(10-12-23)14-18(24)20-8-7-15-13-21-17-6-4-3-5-16(15)17/h3-6,13,21H,2,7-12,14H2,1H3,(H,20,24)/p+1
InChIKeyDZFHZDFHCIBWJZ-UHFFFAOYSA-O
MW359.45 g/mol
LogP0.18
Rot. Bonds6

About ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate

ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate (PubChem CID 8545802) has the molecular formula C19H27N4O3+ and a molecular weight of 359.45 g/mol. Its IUPAC name is ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
PubChem CID8545802
Molecular FormulaC19H27N4O3+
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Nameethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
SMILESCCOC(=O)N1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H26N4O3/c1-2-26-19(25)23-11-9-22(10-12-23)14-18(24)20-8-7-15-13-21-17-6-4-3-5-16(15)17/h3-6,13,21H,2,7-12,14H2,1H3,(H,20,24)/p+1
InChIKeyDZFHZDFHCIBWJZ-UHFFFAOYSA-O
XLogP0.18
TPSA78.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8596498
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8546860
2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 84553422
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate (CID 8545802) is ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate is CCOC(=O)N1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
The InChIKey is DZFHZDFHCIBWJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N4O3/c1-2-26-19(25)23-11-9-22(10-12-23)14-18(24)20-8-7-15-13-21-17-6-4-3-5-16(15)17/h3-6,13,21H,2,7-12,14H2,1H3,(H,20,24)/p+1.
What are the key properties of ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate?
ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate is sourced from PubChem (CID 8545802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).