3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

C15H18FN3O — CID 134794343

IUPAC3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-12(2-4-13)11-18-8-5-14(6-9-18)19-10-7-17-15(19)20/h1-4,7,10,14H,5-6,8-9,11H2,(H,17,20)
InChIKeyQLAUSZUZVFJFIJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.15
Rot. Bonds3

About 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 134794343) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
PubChem CID134794343
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-12(2-4-13)11-18-8-5-14(6-9-18)19-10-7-17-15(19)20/h1-4,7,10,14H,5-6,8-9,11H2,(H,17,20)
InChIKeyQLAUSZUZVFJFIJ-UHFFFAOYSA-N
XLogP2.15
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (CID 134794343) is 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is O=c1[nH]ccn1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is QLAUSZUZVFJFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-3-1-12(2-4-13)11-18-8-5-14(6-9-18)19-10-7-17-15(19)20/h1-4,7,10,14H,5-6,8-9,11H2,(H,17,20).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 275.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 134794343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).