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

C16H18F3N3O — CID 134795346

IUPAC3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)13-3-1-12(2-4-13)11-21-8-5-14(6-9-21)22-10-7-20-15(22)23/h1-4,7,10,14H,5-6,8-9,11H2,(H,20,23)
InChIKeyPUDRSKGIBINEPY-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.03
Rot. Bonds3

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

3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 134795346) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one
PubChem CID134795346
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)13-3-1-12(2-4-13)11-21-8-5-14(6-9-21)22-10-7-20-15(22)23/h1-4,7,10,14H,5-6,8-9,11H2,(H,20,23)
InChIKeyPUDRSKGIBINEPY-UHFFFAOYSA-N
XLogP3.03
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one (CID 134795346) is 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one is O=c1[nH]ccn1C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is PUDRSKGIBINEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)13-3-1-12(2-4-13)11-21-8-5-14(6-9-21)22-10-7-20-15(22)23/h1-4,7,10,14H,5-6,8-9,11H2,(H,20,23).
What are the key properties of 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 325.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 134795346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).