2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one

C12H15FN2O3 — CID 74232222

IUPAC2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC(F)CC2)cc1=O
InChIInChI=1S/C12H15FN2O3/c1-18-11-7-14-9(6-10(11)16)12(17)15-4-2-8(13)3-5-15/h6-8H,2-5H2,1H3,(H,14,16)
InChIKeyMSMPFGYTWMGBIX-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one

2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one (PubChem CID 74232222) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
PubChem CID74232222
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC(F)CC2)cc1=O
InChIInChI=1S/C12H15FN2O3/c1-18-11-7-14-9(6-10(11)16)12(17)15-4-2-8(13)3-5-15/h6-8H,2-5H2,1H3,(H,14,16)
InChIKeyMSMPFGYTWMGBIX-UHFFFAOYSA-N
XLogP0.96
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one (CID 74232222) is 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCC(F)CC2)cc1=O.
What is the InChIKey of 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
The InChIKey is MSMPFGYTWMGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-18-11-7-14-9(6-10(11)16)12(17)15-4-2-8(13)3-5-15/h6-8H,2-5H2,1H3,(H,14,16).
What are the key properties of 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one?
2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one has a molecular weight of 254.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidine-1-carbonyl)-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 74232222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).