ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate

C17H22N2O2 — CID 134122664

IUPACethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate
SMILESCCOC(=O)n1ccc2c(N3CCC(C)CC3)cccc21
InChIInChI=1S/C17H22N2O2/c1-3-21-17(20)19-12-9-14-15(5-4-6-16(14)19)18-10-7-13(2)8-11-18/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3
InChIKeyWNUBEAUYNVWYRD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.88
Rot. Bonds2

About ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate

ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate (PubChem CID 134122664) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate
PubChem CID134122664
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate
SMILESCCOC(=O)n1ccc2c(N3CCC(C)CC3)cccc21
InChIInChI=1S/C17H22N2O2/c1-3-21-17(20)19-12-9-14-15(5-4-6-16(14)19)18-10-7-13(2)8-11-18/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3
InChIKeyWNUBEAUYNVWYRD-UHFFFAOYSA-N
XLogP3.88
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate?
The IUPAC name of ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate (CID 134122664) is ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate is CCOC(=O)n1ccc2c(N3CCC(C)CC3)cccc21.
What is the InChIKey of ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate?
The InChIKey is WNUBEAUYNVWYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-21-17(20)19-12-9-14-15(5-4-6-16(14)19)18-10-7-13(2)8-11-18/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate?
ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate is sourced from PubChem (CID 134122664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).