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

C23H31F3N4O — CID 58885023

IUPAC3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)N1CCC(N2CCC(n3cc(-c4cccc(C(F)(F)F)c4)[nH]c3=O)CC2)CC1
InChIInChI=1S/C23H31F3N4O/c1-16(2)28-10-6-19(7-11-28)29-12-8-20(9-13-29)30-15-21(27-22(30)31)17-4-3-5-18(14-17)23(24,25)26/h3-5,14-16,19-20H,6-13H2,1-2H3,(H,27,31)
InChIKeyVVMZZPCEACPYME-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.37
Rot. Bonds4

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

3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 58885023) has the molecular formula C23H31F3N4O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID58885023
Molecular FormulaC23H31F3N4O
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC Name3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)N1CCC(N2CCC(n3cc(-c4cccc(C(F)(F)F)c4)[nH]c3=O)CC2)CC1
InChIInChI=1S/C23H31F3N4O/c1-16(2)28-10-6-19(7-11-28)29-12-8-20(9-13-29)30-15-21(27-22(30)31)17-4-3-5-18(14-17)23(24,25)26/h3-5,14-16,19-20H,6-13H2,1-2H3,(H,27,31)
InChIKeyVVMZZPCEACPYME-UHFFFAOYSA-N
XLogP4.37
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 58885023) is 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CC(C)N1CCC(N2CCC(n3cc(-c4cccc(C(F)(F)F)c4)[nH]c3=O)CC2)CC1.
What is the InChIKey of 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is VVMZZPCEACPYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O/c1-16(2)28-10-6-19(7-11-28)29-12-8-20(9-13-29)30-15-21(27-22(30)31)17-4-3-5-18(14-17)23(24,25)26/h3-5,14-16,19-20H,6-13H2,1-2H3,(H,27,31).
What are the key properties of 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 436.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 58885023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).