[3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone

C20H23FN2O — CID 14716815

IUPAC[3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)c2ncccc2CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3
InChIKeySPPAFMKKFXXADK-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.53
Rot. Bonds5

About [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone

[3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 14716815) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
PubChem CID14716815
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name[3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)c2ncccc2CCc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3
InChIKeySPPAFMKKFXXADK-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzoylpyridine
CID 26731
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
Di-2-pyridylethanedione
CID 68115
(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
2-Acetyl-4-methylpyridine
CID 564760
2-Pyridyl(2-quinolyl)methanone
CID 2817968
1-Isoquinolinyl phenyl ketone
CID 280081
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Bis(2-pyridyl) ketone
CID 88065
Piberaline
CID 65975
2-Acetyl-4-isopropenylpyridine
CID 529344

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone (CID 14716815) is [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)c2ncccc2CCc2cccc(F)c2)CC1.
What is the InChIKey of [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is SPPAFMKKFXXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3.
What are the key properties of [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone?
[3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 326.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 14716815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).