1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C14H18FN3O2 — CID 107162552

IUPAC1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-14(13(16)17-20)5-7-18(8-6-14)12(19)10-3-2-4-11(15)9-10/h2-4,9,20H,5-8H2,1H3,(H2,16,17)
InChIKeyKOOGRTWPMACANM-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162552) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162552
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-14(13(16)17-20)5-7-18(8-6-14)12(19)10-3-2-4-11(15)9-10/h2-4,9,20H,5-8H2,1H3,(H2,16,17)
InChIKeyKOOGRTWPMACANM-UHFFFAOYSA-N
XLogP1.81
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.81
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

1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162578
1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162595
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162552) is 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CC1(/C(N)=N/O)CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is KOOGRTWPMACANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(13(16)17-20)5-7-18(8-6-14)12(19)10-3-2-4-11(15)9-10/h2-4,9,20H,5-8H2,1H3,(H2,16,17).
What are the key properties of 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 279.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).