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

C20H24FN3O — CID 109205101

IUPAC[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(NCCc3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C20H24FN3O/c1-15-8-12-24(13-9-15)20(25)19-14-18(7-11-23-19)22-10-6-16-2-4-17(21)5-3-16/h2-5,7,11,14-15H,6,8-10,12-13H2,1H3,(H,22,23)
InChIKeyNIHZGYPOYIIPEW-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.75
Rot. Bonds5

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

[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205101) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205101
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(NCCc3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C20H24FN3O/c1-15-8-12-24(13-9-15)20(25)19-14-18(7-11-23-19)22-10-6-16-2-4-17(21)5-3-16/h2-5,7,11,14-15H,6,8-10,12-13H2,1H3,(H,22,23)
InChIKeyNIHZGYPOYIIPEW-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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Related Compounds

(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205100
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275036
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205101) is [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(NCCc3ccc(F)cc3)ccn2)CC1.
What is the InChIKey of [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is NIHZGYPOYIIPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15-8-12-24(13-9-15)20(25)19-14-18(7-11-23-19)22-10-6-16-2-4-17(21)5-3-16/h2-5,7,11,14-15H,6,8-10,12-13H2,1H3,(H,22,23).
What are the key properties of [4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-[2-(4-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-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).