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

C20H25F3N4O — CID 71167302

IUPAC3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc(C(F)(F)F)c2)cn1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)15-3-1-2-14(12-15)18-13-27(19(28)25-18)17-6-10-26(11-7-17)16-4-8-24-9-5-16/h1-3,12-13,16-17,24H,4-11H2,(H,25,28)
InChIKeyLCGAXAMHLSSVGM-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.25
Rot. Bonds3

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

3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 71167302) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID71167302
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc(C(F)(F)F)c2)cn1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)15-3-1-2-14(12-15)18-13-27(19(28)25-18)17-6-10-26(11-7-17)16-4-8-24-9-5-16/h1-3,12-13,16-17,24H,4-11H2,(H,25,28)
InChIKeyLCGAXAMHLSSVGM-UHFFFAOYSA-N
XLogP3.25
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 71167302) is 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is O=c1[nH]c(-c2cccc(C(F)(F)F)c2)cn1C1CCN(C2CCNCC2)CC1.
What is the InChIKey of 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is LCGAXAMHLSSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c21-20(22,23)15-3-1-2-14(12-15)18-13-27(19(28)25-18)17-6-10-26(11-7-17)16-4-8-24-9-5-16/h1-3,12-13,16-17,24H,4-11H2,(H,25,28).
What are the key properties of 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 394.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-4-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 71167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).