methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate

C21H28N2O4 — CID 110499088

IUPACmethyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N1CCC(C(=O)OC)CC1)n2CC
InChIInChI=1S/C21H28N2O4/c1-5-23-18-8-7-16(27-6-2)13-17(18)14(3)19(23)20(24)22-11-9-15(10-12-22)21(25)26-4/h7-8,13,15H,5-6,9-12H2,1-4H3
InChIKeyZAOGWPWIYLQXGJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.39
Rot. Bonds5

About methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate

methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 110499088) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
PubChem CID110499088
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Namemethyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N1CCC(C(=O)OC)CC1)n2CC
InChIInChI=1S/C21H28N2O4/c1-5-23-18-8-7-16(27-6-2)13-17(18)14(3)19(23)20(24)22-11-9-15(10-12-22)21(25)26-4/h7-8,13,15H,5-6,9-12H2,1-4H3
InChIKeyZAOGWPWIYLQXGJ-UHFFFAOYSA-N
XLogP3.39
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110499037
ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
CID 110498959
(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
CID 110499054
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
5-ethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969413
5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 110503977
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate (CID 110499088) is methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate is CCOc1ccc2c(c1)c(C)c(C(=O)N1CCC(C(=O)OC)CC1)n2CC.
What is the InChIKey of methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZAOGWPWIYLQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-23-18-8-7-16(27-6-2)13-17(18)14(3)19(23)20(24)22-11-9-15(10-12-22)21(25)26-4/h7-8,13,15H,5-6,9-12H2,1-4H3.
What are the key properties of methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 110499088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).