(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone

C14H20FN3O — CID 105066571

IUPAC(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-10-13(12)15/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyZRTBOWXTCRMUMQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.78
Rot. Bonds3

About (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone

(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 105066571) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID105066571
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-10-13(12)15/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyZRTBOWXTCRMUMQ-UHFFFAOYSA-N
XLogP1.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone with MolForge

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Related Compounds

(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122142183
(4-amino-2-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774588
1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 115646355
(3-fluoro-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 115646331
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(2-amino-3-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62775760
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
2-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 64948717
(4-butan-2-ylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993762

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone (CID 105066571) is (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone is CCC(C)N1CCN(C(=O)c2ccncc2F)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is ZRTBOWXTCRMUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-11(2)17-6-8-18(9-7-17)14(19)12-4-5-16-10-13(12)15/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 105066571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).