ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate

C19H25N3O4 — CID 5307749

IUPACethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C19H25N3O4/c1-3-26-19(25)21-10-8-20(9-11-21)13-18(24)16-4-5-17-15(12-16)6-7-22(17)14(2)23/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyDSEQELVCSOIHSR-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.55
Rot. Bonds4

About ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 5307749) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID5307749
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C19H25N3O4/c1-3-26-19(25)21-10-8-20(9-11-21)13-18(24)16-4-5-17-15(12-16)6-7-22(17)14(2)23/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyDSEQELVCSOIHSR-UHFFFAOYSA-N
XLogP1.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate (CID 5307749) is ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1.
What is the InChIKey of ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is DSEQELVCSOIHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-26-19(25)21-10-8-20(9-11-21)13-18(24)16-4-5-17-15(12-16)6-7-22(17)14(2)23/h4-5,12H,3,6-11,13H2,1-2H3.
What are the key properties of ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 5307749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).