5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one

C14H18ClFN2O2 — CID 166125168

IUPAC5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCC1CN(C2COC2)CCC1(F)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C14H18ClFN2O2/c1-9-6-18(11-7-20-8-11)3-2-14(9,16)12-4-10(15)5-17-13(12)19/h4-5,9,11H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyKCINOERRFRSHTD-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.93
Rot. Bonds2

About 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one

5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 166125168) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID166125168
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCC1CN(C2COC2)CCC1(F)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C14H18ClFN2O2/c1-9-6-18(11-7-20-8-11)3-2-14(9,16)12-4-10(15)5-17-13(12)19/h4-5,9,11H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyKCINOERRFRSHTD-UHFFFAOYSA-N
XLogP1.93
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one (CID 166125168) is 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one is CC1CN(C2COC2)CCC1(F)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is KCINOERRFRSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9-6-18(11-7-20-8-11)3-2-14(9,16)12-4-10(15)5-17-13(12)19/h4-5,9,11H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one?
5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 300.76 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166125168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).