[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone

C19H22FN3O — CID 109182563

IUPAC[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCCc2ccc(F)cc2)cn1)N1CCCCC1
InChIInChI=1S/C19H22FN3O/c20-16-6-4-15(5-7-16)10-11-21-17-8-9-18(22-14-17)19(24)23-12-2-1-3-13-23/h4-9,14,21H,1-3,10-13H2
InChIKeyUANOJJPSOWQLMB-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.50
Rot. Bonds5

About [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone

[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109182563) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109182563
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCCc2ccc(F)cc2)cn1)N1CCCCC1
InChIInChI=1S/C19H22FN3O/c20-16-6-4-15(5-7-16)10-11-21-17-8-9-18(22-14-17)19(24)23-12-2-1-3-13-23/h4-9,14,21H,1-3,10-13H2
InChIKeyUANOJJPSOWQLMB-UHFFFAOYSA-N
XLogP3.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181814
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone (CID 109182563) is [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(NCCc2ccc(F)cc2)cn1)N1CCCCC1.
What is the InChIKey of [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is UANOJJPSOWQLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-6-4-15(5-7-16)10-11-21-17-8-9-18(22-14-17)19(24)23-12-2-1-3-13-23/h4-9,14,21H,1-3,10-13H2.
What are the key properties of [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 327.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109182563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).