ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate

C19H24N2O3 — CID 3506422

IUPACethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)c2c[nH]c3ccc(C)cc23)C1
InChIInChI=1S/C19H24N2O3/c1-3-24-19(23)14-5-4-8-21(11-14)12-18(22)16-10-20-17-7-6-13(2)9-15(16)17/h6-7,9-10,14,20H,3-5,8,11-12H2,1-2H3
InChIKeyFHMCZCLQNLMUQY-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.93
Rot. Bonds5

About ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate

ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 3506422) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID3506422
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)c2c[nH]c3ccc(C)cc23)C1
InChIInChI=1S/C19H24N2O3/c1-3-24-19(23)14-5-4-8-21(11-14)12-18(22)16-10-20-17-7-6-13(2)9-15(16)17/h6-7,9-10,14,20H,3-5,8,11-12H2,1-2H3
InChIKeyFHMCZCLQNLMUQY-UHFFFAOYSA-N
XLogP2.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate (CID 3506422) is ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)c2c[nH]c3ccc(C)cc23)C1.
What is the InChIKey of ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is FHMCZCLQNLMUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-24-19(23)14-5-4-8-21(11-14)12-18(22)16-10-20-17-7-6-13(2)9-15(16)17/h6-7,9-10,14,20H,3-5,8,11-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 3506422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).