5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one

C8H12FN3O — CID 174533040

IUPAC5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(F)cn1C1CCNCC1
InChIInChI=1S/C8H12FN3O/c9-7-5-12(8(13)11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,13)
InChIKeyYDFUEGNJZAYQBO-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.24
Rot. Bonds1

About 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one

5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 174533040) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID174533040
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(F)cn1C1CCNCC1
InChIInChI=1S/C8H12FN3O/c9-7-5-12(8(13)11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,13)
InChIKeyYDFUEGNJZAYQBO-UHFFFAOYSA-N
XLogP0.24
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one (CID 174533040) is 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one is O=c1[nH]c(F)cn1C1CCNCC1.
What is the InChIKey of 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is YDFUEGNJZAYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c9-7-5-12(8(13)11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,13).
What are the key properties of 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one?
5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 185.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 174533040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).