3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one

C22H24FN3O2 — CID 46968504

IUPAC3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(Cn1cnc2ccccc21)C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN3O2/c1-16(14-26-15-24-20-7-2-3-8-21(20)26)22(27)25-11-9-18(10-12-25)28-19-6-4-5-17(23)13-19/h2-8,13,15-16,18H,9-12,14H2,1H3
InChIKeyXZIZEPNLQKSPOP-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.88
Rot. Bonds5

About 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one

3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 46968504) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID46968504
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(Cn1cnc2ccccc21)C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN3O2/c1-16(14-26-15-24-20-7-2-3-8-21(20)26)22(27)25-11-9-18(10-12-25)28-19-6-4-5-17(23)13-19/h2-8,13,15-16,18H,9-12,14H2,1H3
InChIKeyXZIZEPNLQKSPOP-UHFFFAOYSA-N
XLogP3.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 154895868
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92582371
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779
2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558579

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one (CID 46968504) is 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one is CC(Cn1cnc2ccccc21)C(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XZIZEPNLQKSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16(14-26-15-24-20-7-2-3-8-21(20)26)22(27)25-11-9-18(10-12-25)28-19-6-4-5-17(23)13-19/h2-8,13,15-16,18H,9-12,14H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one?
3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 381.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 46968504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).