ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate

C18H23BrN2O5 — CID 91958892

IUPACethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3oc(Br)cc3n2CCOC)CC1
InChIInChI=1S/C18H23BrN2O5/c1-3-25-18(23)12-4-6-20(7-5-12)17(22)14-10-15-13(11-16(19)26-15)21(14)8-9-24-2/h10-12H,3-9H2,1-2H3
InChIKeyHBKGLYQGSPFHLD-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.06
Rot. Bonds6

About ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 91958892) has the molecular formula C18H23BrN2O5 and a molecular weight of 427.30 g/mol. Its IUPAC name is ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
PubChem CID91958892
Molecular FormulaC18H23BrN2O5
Molecular Weight427.30 g/mol
Exact Mass426.08
IUPAC Nameethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3oc(Br)cc3n2CCOC)CC1
InChIInChI=1S/C18H23BrN2O5/c1-3-25-18(23)12-4-6-20(7-5-12)17(22)14-10-15-13(11-16(19)26-15)21(14)8-9-24-2/h10-12H,3-9H2,1-2H3
InChIKeyHBKGLYQGSPFHLD-UHFFFAOYSA-N
XLogP3.06
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
ethyl 1-[2-methyl-4-[(3-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 7218843
ethyl 1-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylate
CID 17230864
ethyl 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 86998647
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
CID 110697653
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 22518965

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate (CID 91958892) is ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3oc(Br)cc3n2CCOC)CC1.
What is the InChIKey of ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is HBKGLYQGSPFHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O5/c1-3-25-18(23)12-4-6-20(7-5-12)17(22)14-10-15-13(11-16(19)26-15)21(14)8-9-24-2/h10-12H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 427.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 91958892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).