ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate

C25H27N3O5 — CID 42782067

IUPACethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccccn23)CC1
InChIInChI=1S/C25H27N3O5/c1-2-31-25(30)17-8-11-27(12-9-17)24(29)14-19(18-6-7-21-22(13-18)33-16-32-21)20-15-26-23-5-3-4-10-28(20)23/h3-7,10,13,15,17,19H,2,8-9,11-12,14,16H2,1H3
InChIKeyOZDNRVXREPWTKN-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.39
Rot. Bonds6

About ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate

ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate (PubChem CID 42782067) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate
PubChem CID42782067
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Nameethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccccn23)CC1
InChIInChI=1S/C25H27N3O5/c1-2-31-25(30)17-8-11-27(12-9-17)24(29)14-19(18-6-7-21-22(13-18)33-16-32-21)20-15-26-23-5-3-4-10-28(20)23/h3-7,10,13,15,17,19H,2,8-9,11-12,14,16H2,1H3
InChIKeyOZDNRVXREPWTKN-UHFFFAOYSA-N
XLogP3.39
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782057
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate
CID 42782887
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate
CID 42802945
3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-yl-N,N-dipropylpropanamide
CID 4150123
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate
CID 46131396
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
(3R)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one
CID 26333026
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
3-(1,3-benzodioxol-5-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 42783800
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate (CID 42782067) is ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccccn23)CC1.
What is the InChIKey of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate?
The InChIKey is OZDNRVXREPWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-2-31-25(30)17-8-11-27(12-9-17)24(29)14-19(18-6-7-21-22(13-18)33-16-32-21)20-15-26-23-5-3-4-10-28(20)23/h3-7,10,13,15,17,19H,2,8-9,11-12,14,16H2,1H3.
What are the key properties of ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 42782067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).