1-(4-fluorobenzoyl)piperidine-3-carbohydrazide

C13H16FN3O2 — CID 54793956

IUPAC1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c14-11-5-3-9(4-6-11)13(19)17-7-1-2-10(8-17)12(18)16-15/h3-6,10H,1-2,7-8,15H2,(H,16,18)
InChIKeyIJLOMWRAMLFULD-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide

1-(4-fluorobenzoyl)piperidine-3-carbohydrazide (PubChem CID 54793956) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
PubChem CID54793956
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c14-11-5-3-9(4-6-11)13(19)17-7-1-2-10(8-17)12(18)16-15/h3-6,10H,1-2,7-8,15H2,(H,16,18)
InChIKeyIJLOMWRAMLFULD-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.67
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

1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]formamide
CID 174516227
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide (CID 54793956) is 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide is NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide?
The InChIKey is IJLOMWRAMLFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-5-3-9(4-6-11)13(19)17-7-1-2-10(8-17)12(18)16-15/h3-6,10H,1-2,7-8,15H2,(H,16,18).
What are the key properties of 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide?
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide has a molecular weight of 265.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 54793956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).