ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate

C17H21N3O4 — CID 4974825

IUPACethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1
InChIInChI=1S/C17H21N3O4/c1-3-24-17(22)20-8-6-19(7-9-20)16(21)15-10-12-4-5-13(23-2)11-14(12)18-15/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyJLICMZBHDIOHQM-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.09
Rot. Bonds3

About ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 4974825) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
PubChem CID4974825
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nameethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1
InChIInChI=1S/C17H21N3O4/c1-3-24-17(22)20-8-6-19(7-9-20)16(21)15-10-12-4-5-13(23-2)11-14(12)18-15/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyJLICMZBHDIOHQM-UHFFFAOYSA-N
XLogP2.09
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate (CID 4974825) is ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1.
What is the InChIKey of ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is JLICMZBHDIOHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-24-17(22)20-8-6-19(7-9-20)16(21)15-10-12-4-5-13(23-2)11-14(12)18-15/h4-5,10-11,18H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 4974825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).