3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C15H16F3N3O — CID 18321432

IUPAC3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc(C(F)(F)F)c2)cn1C1CCNCC1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)11-3-1-2-10(8-11)13-9-21(14(22)20-13)12-4-6-19-7-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,22)
InChIKeyYRSKOLQFXZUDJH-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.79
Rot. Bonds2

About 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 18321432) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID18321432
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc(C(F)(F)F)c2)cn1C1CCNCC1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)11-3-1-2-10(8-11)13-9-21(14(22)20-13)12-4-6-19-7-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,22)
InChIKeyYRSKOLQFXZUDJH-UHFFFAOYSA-N
XLogP2.79
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 18321432) is 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is O=c1[nH]c(-c2cccc(C(F)(F)F)c2)cn1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is YRSKOLQFXZUDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)11-3-1-2-10(8-11)13-9-21(14(22)20-13)12-4-6-19-7-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,22).
What are the key properties of 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 311.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 18321432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).