7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid

C16H20N2O5 — CID 57077068

IUPAC7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid
SMILESCOCC1(c2cc3c(C(=O)O)cnc(OC)c3o2)CCNCC1
InChIInChI=1S/C16H20N2O5/c1-21-9-16(3-5-17-6-4-16)12-7-10-11(15(19)20)8-18-14(22-2)13(10)23-12/h7-8,17H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyTZTFBBILKQJGOX-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.80
Rot. Bonds5

About 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid

7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid (PubChem CID 57077068) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid
PubChem CID57077068
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid
SMILESCOCC1(c2cc3c(C(=O)O)cnc(OC)c3o2)CCNCC1
InChIInChI=1S/C16H20N2O5/c1-21-9-16(3-5-17-6-4-16)12-7-10-11(15(19)20)8-18-14(22-2)13(10)23-12/h7-8,17H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyTZTFBBILKQJGOX-UHFFFAOYSA-N
XLogP1.80
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid?
The IUPAC name of 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid (CID 57077068) is 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid?
The canonical SMILES for 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid is COCC1(c2cc3c(C(=O)O)cnc(OC)c3o2)CCNCC1.
What is the InChIKey of 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid?
The InChIKey is TZTFBBILKQJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-21-9-16(3-5-17-6-4-16)12-7-10-11(15(19)20)8-18-14(22-2)13(10)23-12/h7-8,17H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid?
7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[4-(methoxymethyl)piperidin-4-yl]furo[2,3-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 57077068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).