1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C15H21N3O2 — CID 77041489

IUPAC1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1C
InChIInChI=1S/C15H21N3O2/c1-10-5-6-12(8-11(10)2)15(19)18-7-3-4-13(9-18)14(16)17-20/h5-6,8,13,20H,3-4,7,9H2,1-2H3,(H2,16,17)
InChIKeyOUQGGKAUZGIPEN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds2

About 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041489) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041489
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1C
InChIInChI=1S/C15H21N3O2/c1-10-5-6-12(8-11(10)2)15(19)18-7-3-4-13(9-18)14(16)17-20/h5-6,8,13,20H,3-4,7,9H2,1-2H3,(H2,16,17)
InChIKeyOUQGGKAUZGIPEN-UHFFFAOYSA-N
XLogP1.90
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
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-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbothioamide
CID 81471858
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041489) is 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide is Cc1ccc(C(=O)N2CCCC(C(N)=NO)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is OUQGGKAUZGIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-5-6-12(8-11(10)2)15(19)18-7-3-4-13(9-18)14(16)17-20/h5-6,8,13,20H,3-4,7,9H2,1-2H3,(H2,16,17).
What are the key properties of 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 275.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).