4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide

C16H24FN3O — CID 107458723

IUPAC4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
SMILESCCCC1CCCCN1Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C16H24FN3O/c1-2-5-14-6-3-4-9-20(14)11-13-10-12(16(21)19-18)7-8-15(13)17/h7-8,10,14H,2-6,9,11,18H2,1H3,(H,19,21)
InChIKeyWVYVZBOBMNYHCE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.58
Rot. Bonds5

About 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide

4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide (PubChem CID 107458723) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
PubChem CID107458723
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
SMILESCCCC1CCCCN1Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C16H24FN3O/c1-2-5-14-6-3-4-9-20(14)11-13-10-12(16(21)19-18)7-8-15(13)17/h7-8,10,14H,2-6,9,11,18H2,1H3,(H,19,21)
InChIKeyWVYVZBOBMNYHCE-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 107880904
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
1-[1-[(5-chloro-2-fluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 103046626
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995
1-[1-[(2,5-difluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 79559683
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 107458428
4-fluoro-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 62469516
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide (CID 107458723) is 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide is CCCC1CCCCN1Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is WVYVZBOBMNYHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-5-14-6-3-4-9-20(14)11-13-10-12(16(21)19-18)7-8-15(13)17/h7-8,10,14H,2-6,9,11,18H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide?
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 293.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 107458723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).