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

C20H24FN3O — CID 109205100

IUPAC[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(NCCc3ccccc3F)ccn2)CC1
InChIInChI=1S/C20H24FN3O/c1-15-8-12-24(13-9-15)20(25)19-14-17(7-11-23-19)22-10-6-16-4-2-3-5-18(16)21/h2-5,7,11,14-15H,6,8-10,12-13H2,1H3,(H,22,23)
InChIKeyWPMCZOPFXQGOTO-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.75
Rot. Bonds5

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

[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205100) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205100
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(NCCc3ccccc3F)ccn2)CC1
InChIInChI=1S/C20H24FN3O/c1-15-8-12-24(13-9-15)20(25)19-14-17(7-11-23-19)22-10-6-16-4-2-3-5-18(16)21/h2-5,7,11,14-15H,6,8-10,12-13H2,1H3,(H,22,23)
InChIKeyWPMCZOPFXQGOTO-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205100) is [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(NCCc3ccccc3F)ccn2)CC1.
What is the InChIKey of [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WPMCZOPFXQGOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15-8-12-24(13-9-15)20(25)19-14-17(7-11-23-19)22-10-6-16-4-2-3-5-18(16)21/h2-5,7,11,14-15H,6,8-10,12-13H2,1H3,(H,22,23).
What are the key properties of [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).