4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one

C15H23FN2O — CID 138378074

IUPAC4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(CCCCCF)CC2)cc[nH]1
InChIInChI=1S/C15H23FN2O/c16-7-2-1-3-9-18-10-5-13(6-11-18)14-4-8-17-15(19)12-14/h4,8,12-13H,1-3,5-7,9-11H2,(H,17,19)
InChIKeyQFJPOSLCHCZSKL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.69
Rot. Bonds6

About 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138378074) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138378074
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(CCCCCF)CC2)cc[nH]1
InChIInChI=1S/C15H23FN2O/c16-7-2-1-3-9-18-10-5-13(6-11-18)14-4-8-17-15(19)12-14/h4,8,12-13H,1-3,5-7,9-11H2,(H,17,19)
InChIKeyQFJPOSLCHCZSKL-UHFFFAOYSA-N
XLogP2.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one (CID 138378074) is 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one is O=c1cc(C2CCN(CCCCCF)CC2)cc[nH]1.
What is the InChIKey of 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is QFJPOSLCHCZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-7-2-1-3-9-18-10-5-13(6-11-18)14-4-8-17-15(19)12-14/h4,8,12-13H,1-3,5-7,9-11H2,(H,17,19).
What are the key properties of 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 266.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoropentyl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138378074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).