(5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone

C17H20FN3O2 — CID 126461606

IUPAC(5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C17H20FN3O2/c1-23-15-5-4-13(18)9-14(15)17(22)12-3-2-8-21(10-12)11-16-19-6-7-20-16/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20)
InChIKeyWSPVDURVPIGGML-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.65
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone

(5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 126461606) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID126461606
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C17H20FN3O2/c1-23-15-5-4-13(18)9-14(15)17(22)12-3-2-8-21(10-12)11-16-19-6-7-20-16/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20)
InChIKeyWSPVDURVPIGGML-UHFFFAOYSA-N
XLogP2.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl){1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methanone
CID 16188268
{1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}(4-methoxy-3,5-dimethylphenyl)methanone
CID 16188932
3-[(1E,4E)-5-(1-ethylimidazol-2-yl)-3-oxopenta-1,4-dienyl]chromen-4-one
CID 122192026
7-Fluoro-3-(imidazol-1-ylmethyl)chromen-4-one
CID 127027254
3-(1H-imidazol-5-ylmethyl)chromen-4-one
CID 127027571
7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one
CID 127027573
3-(Imidazol-1-ylmethyl)chromen-4-one
CID 127028818
(5-chloro-2-methoxyphenyl){1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanone
CID 16187764
{1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}(5-fluoro-2-methoxyphenyl)methanone
CID 16189150
3-[(1E,4E)-5-(1-methylimidazol-2-yl)-3-oxopenta-1,4-dienyl]chromen-4-one
CID 122192025
3-[(1E,4E)-3-oxo-5-(1-propylimidazol-2-yl)penta-1,4-dienyl]chromen-4-one
CID 122192027
3-[(1E,4E)-5-(1-butylimidazol-2-yl)-3-oxopenta-1,4-dienyl]chromen-4-one
CID 122192028

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone (CID 126461606) is (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone is COc1ccc(F)cc1C(=O)C1CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is WSPVDURVPIGGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-15-5-4-13(18)9-14(15)17(22)12-3-2-8-21(10-12)11-16-19-6-7-20-16/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20).
What are the key properties of (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 126461606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).