[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate

C17H20N2O3 — CID 7492846

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H20N2O3/c1-12-6-8-19(9-7-12)16(20)11-22-17(21)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,12,18H,6-9,11H2,1H3
InChIKeyCVUULZVYWFGTDF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492846) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492846
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H20N2O3/c1-12-6-8-19(9-7-12)16(20)11-22-17(21)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,12,18H,6-9,11H2,1H3
InChIKeyCVUULZVYWFGTDF-UHFFFAOYSA-N
XLogP2.58
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492846) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate is CC1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is CVUULZVYWFGTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-6-8-19(9-7-12)16(20)11-22-17(21)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,12,18H,6-9,11H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).