2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile

C14H14FN3O2 — CID 154940635

IUPAC2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(F)CCN(c2nc3c(cc2C#N)C(=O)OC3)CC1
InChIInChI=1S/C14H14FN3O2/c1-14(15)2-4-18(5-3-14)12-9(7-16)6-10-11(17-12)8-20-13(10)19/h6H,2-5,8H2,1H3
InChIKeyGCGNFKBEGOTGQG-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.95
Rot. Bonds1

About 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile

2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile (PubChem CID 154940635) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
PubChem CID154940635
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(F)CCN(c2nc3c(cc2C#N)C(=O)OC3)CC1
InChIInChI=1S/C14H14FN3O2/c1-14(15)2-4-18(5-3-14)12-9(7-16)6-10-11(17-12)8-20-13(10)19/h6H,2-5,8H2,1H3
InChIKeyGCGNFKBEGOTGQG-UHFFFAOYSA-N
XLogP1.95
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile (CID 154940635) is 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile is CC1(F)CCN(c2nc3c(cc2C#N)C(=O)OC3)CC1.
What is the InChIKey of 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is GCGNFKBEGOTGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-14(15)2-4-18(5-3-14)12-9(7-16)6-10-11(17-12)8-20-13(10)19/h6H,2-5,8H2,1H3.
What are the key properties of 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile?
2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 275.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-4-methylpiperidin-1-yl)-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 154940635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).