[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate

C17H20N2O4 — CID 70460995

IUPAC[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
SMILESCOC(=O)OC1CN(CCc2c[nH]c3ccccc23)CCC1=O
InChIInChI=1S/C17H20N2O4/c1-22-17(21)23-16-11-19(9-7-15(16)20)8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,10,16,18H,6-9,11H2,1H3
InChIKeyOLRMTKZDGQPLQC-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.14
Rot. Bonds4

About [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate

[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate (PubChem CID 70460995) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
PubChem CID70460995
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
SMILESCOC(=O)OC1CN(CCc2c[nH]c3ccccc23)CCC1=O
InChIInChI=1S/C17H20N2O4/c1-22-17(21)23-16-11-19(9-7-15(16)20)8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,10,16,18H,6-9,11H2,1H3
InChIKeyOLRMTKZDGQPLQC-UHFFFAOYSA-N
XLogP2.14
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460476
[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride
CID 70460297
ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733059
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
The IUPAC name of [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate (CID 70460995) is [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate.
What is the SMILES notation for [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
The canonical SMILES for [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate is COC(=O)OC1CN(CCc2c[nH]c3ccccc23)CCC1=O.
What is the InChIKey of [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
The InChIKey is OLRMTKZDGQPLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-17(21)23-16-11-19(9-7-15(16)20)8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,10,16,18H,6-9,11H2,1H3.
What are the key properties of [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate has a molecular weight of 316.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate is sourced from PubChem (CID 70460995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).