[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C19H24N2O3 — CID 2604353

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC1CCN(C(=O)COC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-14-8-10-21(11-9-14)18(22)13-24-19(23)7-6-15-12-20-17-5-3-2-4-16(15)17/h2-5,12,14,20H,6-11,13H2,1H3
InChIKeyXGNVQBPMCHSLSE-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds5

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2604353) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2604353
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC1CCN(C(=O)COC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-14-8-10-21(11-9-14)18(22)13-24-19(23)7-6-15-12-20-17-5-3-2-4-16(15)17/h2-5,12,14,20H,6-11,13H2,1H3
InChIKeyXGNVQBPMCHSLSE-UHFFFAOYSA-N
XLogP2.90
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
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] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2604353) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is CC1CCN(C(=O)COC(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is XGNVQBPMCHSLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-8-10-21(11-9-14)18(22)13-24-19(23)7-6-15-12-20-17-5-3-2-4-16(15)17/h2-5,12,14,20H,6-11,13H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 328.41 g/mol, XLogP of 2.90, 5 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] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2604353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).