ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate

C20H27N3O3 — CID 71527978

IUPACethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC(N3C(=O)Cc4ccccc43)C2)CC1
InChIInChI=1S/C20H27N3O3/c1-2-26-20(25)22-9-7-15(8-10-22)12-21-13-17(14-21)23-18-6-4-3-5-16(18)11-19(23)24/h3-6,15,17H,2,7-14H2,1H3
InChIKeyXNMRJBAZODGLIG-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 71527978) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID71527978
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC(N3C(=O)Cc4ccccc43)C2)CC1
InChIInChI=1S/C20H27N3O3/c1-2-26-20(25)22-9-7-15(8-10-22)12-21-13-17(14-21)23-18-6-4-3-5-16(18)11-19(23)24/h3-6,15,17H,2,7-14H2,1H3
InChIKeyXNMRJBAZODGLIG-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-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-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate (CID 71527978) is ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CC(N3C(=O)Cc4ccccc43)C2)CC1.
What is the InChIKey of ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is XNMRJBAZODGLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-26-20(25)22-9-7-15(8-10-22)12-21-13-17(14-21)23-18-6-4-3-5-16(18)11-19(23)24/h3-6,15,17H,2,7-14H2,1H3.
What are the key properties of ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-oxo-3H-indol-1-yl)azetidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71527978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).