1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C14H18FN3O2 — CID 77041999

IUPAC1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1F
InChIInChI=1S/C14H18FN3O2/c1-9-4-5-10(7-12(9)15)14(19)18-6-2-3-11(8-18)13(16)17-20/h4-5,7,11,20H,2-3,6,8H2,1H3,(H2,16,17)
InChIKeyMAORITKRYMUDJM-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.73
Rot. Bonds2

About 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041999) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041999
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1F
InChIInChI=1S/C14H18FN3O2/c1-9-4-5-10(7-12(9)15)14(19)18-6-2-3-11(8-18)13(16)17-20/h4-5,7,11,20H,2-3,6,8H2,1H3,(H2,16,17)
InChIKeyMAORITKRYMUDJM-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbothioamide
CID 81471858
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526
1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 82773087

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041999) is 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide is Cc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is MAORITKRYMUDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9-4-5-10(7-12(9)15)14(19)18-6-2-3-11(8-18)13(16)17-20/h4-5,7,11,20H,2-3,6,8H2,1H3,(H2,16,17).
What are the key properties of 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 279.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).