ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate

C18H22N2O3 — CID 4986202

IUPACethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(22)13-6-8-20(9-7-13)17(21)16-11-14-10-12(2)4-5-15(14)19-16/h4-5,10-11,13,19H,3,6-9H2,1-2H3
InChIKeyOBVXYQJYJVWPTB-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.89
Rot. Bonds3

About ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 4986202) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
PubChem CID4986202
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nameethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(22)13-6-8-20(9-7-13)17(21)16-11-14-10-12(2)4-5-15(14)19-16/h4-5,10-11,13,19H,3,6-9H2,1-2H3
InChIKeyOBVXYQJYJVWPTB-UHFFFAOYSA-N
XLogP2.89
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate (CID 4986202) is ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1.
What is the InChIKey of ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is OBVXYQJYJVWPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-18(22)13-6-8-20(9-7-13)17(21)16-11-14-10-12(2)4-5-15(14)19-16/h4-5,10-11,13,19H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4986202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).