2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

C19H24FN3O — CID 110104181

IUPAC2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)[nH]1
InChIInChI=1S/C19H24FN3O/c1-13-11-21-17(22-13)14-5-4-10-23(12-14)18(24)19(2,3)15-6-8-16(20)9-7-15/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,22)
InChIKeyAXXOECFTBSFLGE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110104181) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110104181
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)[nH]1
InChIInChI=1S/C19H24FN3O/c1-13-11-21-17(22-13)14-5-4-10-23(12-14)18(24)19(2,3)15-6-8-16(20)9-7-15/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,22)
InChIKeyAXXOECFTBSFLGE-UHFFFAOYSA-N
XLogP3.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (CID 110104181) is 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is Cc1cnc(C2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AXXOECFTBSFLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-13-11-21-17(22-13)14-5-4-10-23(12-14)18(24)19(2,3)15-6-8-16(20)9-7-15/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 329.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110104181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).