[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H25FN4O — CID 109151966

IUPAC[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H25FN4O/c1-3-15(2)23-19-9-4-16(14-22-19)20(26)25-12-10-24(11-13-25)18-7-5-17(21)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23)
InChIKeyBJJXUYCNJYHDFA-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.39
Rot. Bonds5

About [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109151966) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109151966
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H25FN4O/c1-3-15(2)23-19-9-4-16(14-22-19)20(26)25-12-10-24(11-13-25)18-7-5-17(21)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23)
InChIKeyBJJXUYCNJYHDFA-UHFFFAOYSA-N
XLogP3.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-(butan-2-ylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109151978
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109151966) is [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCC(C)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is BJJXUYCNJYHDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-3-15(2)23-19-9-4-16(14-22-19)20(26)25-12-10-24(11-13-25)18-7-5-17(21)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23).
What are the key properties of [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 356.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).