ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate

C17H23N3O3 — CID 3242746

IUPACethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C17H23N3O3/c1-2-23-17(22)20-9-7-19(8-10-20)12-16(21)14-3-4-15-13(11-14)5-6-18-15/h3-4,11,18H,2,5-10,12H2,1H3
InChIKeyRTOBUSAORBIRDR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.61
Rot. Bonds4

About ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 3242746) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID3242746
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C17H23N3O3/c1-2-23-17(22)20-9-7-19(8-10-20)12-16(21)14-3-4-15-13(11-14)5-6-18-15/h3-4,11,18H,2,5-10,12H2,1H3
InChIKeyRTOBUSAORBIRDR-UHFFFAOYSA-N
XLogP1.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate (CID 3242746) is ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3)CC1.
What is the InChIKey of ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is RTOBUSAORBIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-23-17(22)20-9-7-19(8-10-20)12-16(21)14-3-4-15-13(11-14)5-6-18-15/h3-4,11,18H,2,5-10,12H2,1H3.
What are the key properties of ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 3242746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).