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

C14H18FN3O3 — CID 77042001

IUPAC1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCOc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1F
InChIInChI=1S/C14H18FN3O3/c1-21-12-5-4-9(7-11(12)15)14(19)18-6-2-3-10(8-18)13(16)17-20/h4-5,7,10,20H,2-3,6,8H2,1H3,(H2,16,17)
InChIKeyLLOCZNOCVBWPSU-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.43
Rot. Bonds3

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

1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77042001) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77042001
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCOc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1F
InChIInChI=1S/C14H18FN3O3/c1-21-12-5-4-9(7-11(12)15)14(19)18-6-2-3-10(8-18)13(16)17-20/h4-5,7,10,20H,2-3,6,8H2,1H3,(H2,16,17)
InChIKeyLLOCZNOCVBWPSU-UHFFFAOYSA-N
XLogP1.43
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041489
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
[3-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119595025
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 95111300

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77042001) is 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide is COc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is LLOCZNOCVBWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-21-12-5-4-9(7-11(12)15)14(19)18-6-2-3-10(8-18)13(16)17-20/h4-5,7,10,20H,2-3,6,8H2,1H3,(H2,16,17).
What are the key properties of 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 295.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77042001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).