ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate

C18H22N2O3 — CID 51112478

IUPACethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(22)13-7-6-10-20(11-13)17(21)16-12(2)19-15-9-5-4-8-14(15)16/h4-5,8-9,13,19H,3,6-7,10-11H2,1-2H3
InChIKeyJMXJAADACIIFQA-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.89
Rot. Bonds3

About ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 51112478) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
PubChem CID51112478
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nameethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(22)13-7-6-10-20(11-13)17(21)16-12(2)19-15-9-5-4-8-14(15)16/h4-5,8-9,13,19H,3,6-7,10-11H2,1-2H3
InChIKeyJMXJAADACIIFQA-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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Related Compounds

ethyl (3R)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 94117544
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
(3R)-1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-sulfonamide
CID 95905379
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
CID 110246363

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate (CID 51112478) is ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1.
What is the InChIKey of ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is JMXJAADACIIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-18(22)13-7-6-10-20(11-13)17(21)16-12(2)19-15-9-5-4-8-14(15)16/h4-5,8-9,13,19H,3,6-7,10-11H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-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-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 51112478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).