(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone

C14H21FN4O2 — CID 105388188

IUPAC(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccnc(NN)c2F)C1
InChIInChI=1S/C14H21FN4O2/c1-2-8-21-10-4-3-7-19(9-10)14(20)11-5-6-17-13(18-16)12(11)15/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyLITIKUOLGFEWPA-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.54
Rot. Bonds5

About (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone

(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 105388188) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID105388188
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccnc(NN)c2F)C1
InChIInChI=1S/C14H21FN4O2/c1-2-8-21-10-4-3-7-19(9-10)14(20)11-5-6-17-13(18-16)12(11)15/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyLITIKUOLGFEWPA-UHFFFAOYSA-N
XLogP1.54
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388318
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388482
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 105387852
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 105387751
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone (CID 105388188) is (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2ccnc(NN)c2F)C1.
What is the InChIKey of (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is LITIKUOLGFEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-2-8-21-10-4-3-7-19(9-10)14(20)11-5-6-17-13(18-16)12(11)15/h5-6,10H,2-4,7-9,16H2,1H3,(H,17,18).
What are the key properties of (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 296.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 105388188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).