[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone

C18H19FN2O2 — CID 74230165

IUPAC[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cc(F)ccc1-c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H19FN2O2/c1-23-16-12-13(19)7-8-14(16)17-15(6-5-9-20-17)18(22)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3
InChIKeyGHAFFOUZTLLMKR-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.52
Rot. Bonds3

About [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone

[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 74230165) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID74230165
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cc(F)ccc1-c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H19FN2O2/c1-23-16-12-13(19)7-8-14(16)17-15(6-5-9-20-17)18(22)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3
InChIKeyGHAFFOUZTLLMKR-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 162638191
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
[2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134700249
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
5-(4-fluoro-2-methoxyphenyl)-1,6-naphthyridine
CID 162630412
[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134710595
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 74230165) is [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone is COc1cc(F)ccc1-c1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is GHAFFOUZTLLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-23-16-12-13(19)7-8-14(16)17-15(6-5-9-20-17)18(22)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74230165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).