[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

C22H22FN3O — CID 58494521

IUPAC[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)[nH]1
InChIInChI=1S/C22H22FN3O/c1-15-14-24-21(25-15)18-10-12-26(13-11-18)22(27)19-4-2-16(3-5-19)17-6-8-20(23)9-7-17/h2-9,14,18H,10-13H2,1H3,(H,24,25)
InChIKeyONMLXYLNDCTTGS-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.54
Rot. Bonds3

About [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 58494521) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID58494521
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)[nH]1
InChIInChI=1S/C22H22FN3O/c1-15-14-24-21(25-15)18-10-12-26(13-11-18)22(27)19-4-2-16(3-5-19)17-6-8-20(23)9-7-17/h2-9,14,18H,10-13H2,1H3,(H,24,25)
InChIKeyONMLXYLNDCTTGS-UHFFFAOYSA-N
XLogP4.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 58494521) is [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)[nH]1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ONMLXYLNDCTTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-14-24-21(25-15)18-10-12-26(13-11-18)22(27)19-4-2-16(3-5-19)17-6-8-20(23)9-7-17/h2-9,14,18H,10-13H2,1H3,(H,24,25).
What are the key properties of [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 363.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 58494521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).