ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate

C21H27FN2O4 — CID 69411834

IUPACethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(CCC3OCCO3)c3cc(F)ccc23)CC1
InChIInChI=1S/C21H27FN2O4/c1-2-26-21(25)23-8-5-15(6-9-23)18-14-24(10-7-20-27-11-12-28-20)19-13-16(22)3-4-17(18)19/h3-4,13-15,20H,2,5-12H2,1H3
InChIKeyHHPYFVGQOKJHAL-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.88
Rot. Bonds5

About ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate

ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate (PubChem CID 69411834) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate
PubChem CID69411834
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Nameethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(CCC3OCCO3)c3cc(F)ccc23)CC1
InChIInChI=1S/C21H27FN2O4/c1-2-26-21(25)23-8-5-15(6-9-23)18-14-24(10-7-20-27-11-12-28-20)19-13-16(22)3-4-17(18)19/h3-4,13-15,20H,2,5-12H2,1H3
InChIKeyHHPYFVGQOKJHAL-UHFFFAOYSA-N
XLogP3.88
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]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

Related Compounds

ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69412395
2-[2-[4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidin-1-yl]ethoxy]propane-1,2,3-triol
CID 18440754
ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57173709
ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
CID 11268835
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
ethyl 4-[1-[(5-chlorothiophen-2-yl)methyl]indol-3-yl]piperidine-1-carboxylate
CID 11327120
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489
ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
CID 134124384
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate (CID 69411834) is ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cn(CCC3OCCO3)c3cc(F)ccc23)CC1.
What is the InChIKey of ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate?
The InChIKey is HHPYFVGQOKJHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-2-26-21(25)23-8-5-15(6-9-23)18-14-24(10-7-20-27-11-12-28-20)19-13-16(22)3-4-17(18)19/h3-4,13-15,20H,2,5-12H2,1H3.
What are the key properties of ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate?
ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69411834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).