ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate

C18H25N3O3 — CID 666922

IUPACethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C18H25N3O3/c1-3-24-18(23)20-10-8-19(9-11-20)13-17(22)21-14(2)12-15-6-4-5-7-16(15)21/h4-7,14H,3,8-13H2,1-2H3
InChIKeyQDOASVSKBXTIOA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.74
Rot. Bonds3

About ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 666922) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID666922
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nameethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C18H25N3O3/c1-3-24-18(23)20-10-8-19(9-11-20)13-17(22)21-14(2)12-15-6-4-5-7-16(15)21/h4-7,14H,3,8-13H2,1-2H3
InChIKeyQDOASVSKBXTIOA-UHFFFAOYSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate (CID 666922) is ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1.
What is the InChIKey of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is QDOASVSKBXTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-24-18(23)20-10-8-19(9-11-20)13-17(22)21-14(2)12-15-6-4-5-7-16(15)21/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 666922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).