4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid

C15H17BrN2O5 — CID 22112800

IUPAC4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid
SMILESCOc1ncc(Br)c2cc(C3(OC)CCN(C(=O)O)CC3)oc12
InChIInChI=1S/C15H17BrN2O5/c1-21-13-12-9(10(16)8-17-13)7-11(23-12)15(22-2)3-5-18(6-4-15)14(19)20/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyFFDBUEMOEHXVTA-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.21
Rot. Bonds3

About 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid

4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid (PubChem CID 22112800) has the molecular formula C15H17BrN2O5 and a molecular weight of 385.21 g/mol. Its IUPAC name is 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid
PubChem CID22112800
Molecular FormulaC15H17BrN2O5
Molecular Weight385.21 g/mol
Exact Mass384.03
IUPAC Name4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid
SMILESCOc1ncc(Br)c2cc(C3(OC)CCN(C(=O)O)CC3)oc12
InChIInChI=1S/C15H17BrN2O5/c1-21-13-12-9(10(16)8-17-13)7-11(23-12)15(22-2)3-5-18(6-4-15)14(19)20/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyFFDBUEMOEHXVTA-UHFFFAOYSA-N
XLogP3.21
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid (CID 22112800) is 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid is COc1ncc(Br)c2cc(C3(OC)CCN(C(=O)O)CC3)oc12.
What is the InChIKey of 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid?
The InChIKey is FFDBUEMOEHXVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O5/c1-21-13-12-9(10(16)8-17-13)7-11(23-12)15(22-2)3-5-18(6-4-15)14(19)20/h7-8H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid?
4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid has a molecular weight of 385.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)-4-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22112800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).