1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C13H16FN3O2 — CID 77041850

IUPAC1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c14-11-5-3-9(4-6-11)13(18)17-7-1-2-10(8-17)12(15)16-19/h3-6,10,19H,1-2,7-8H2,(H2,15,16)
InChIKeyARAJVUFHXZNVBM-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.42
Rot. Bonds2

About 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041850) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041850
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FN3O2/c14-11-5-3-9(4-6-11)13(18)17-7-1-2-10(8-17)12(15)16-19/h3-6,10,19H,1-2,7-8H2,(H2,15,16)
InChIKeyARAJVUFHXZNVBM-UHFFFAOYSA-N
XLogP1.42
TPSA78.92 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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041850) is 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is ARAJVUFHXZNVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-5-3-9(4-6-11)13(18)17-7-1-2-10(8-17)12(15)16-19/h3-6,10,19H,1-2,7-8H2,(H2,15,16).
What are the key properties of 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 265.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).