N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide

C14H20N4O2 — CID 107162575

IUPACN'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
SMILESCc1ncccc1C(=O)N1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C14H20N4O2/c1-10-11(4-3-7-16-10)12(19)18-8-5-14(2,6-9-18)13(15)17-20/h3-4,7,20H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyQZEYTMMTISWZBS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.38
Rot. Bonds2

About N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide (PubChem CID 107162575) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
PubChem CID107162575
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
SMILESCc1ncccc1C(=O)N1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C14H20N4O2/c1-10-11(4-3-7-16-10)12(19)18-8-5-14(2,6-9-18)13(15)17-20/h3-4,7,20H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyQZEYTMMTISWZBS-UHFFFAOYSA-N
XLogP1.38
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.38
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

1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
1-(3,6-dimethylpyridazine-4-carbonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162433
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545
1-(2-bromo-4-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162495
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107730102
N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide
CID 107162442
[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methyl-3-pyridinyl)methanone;hydrochloride
CID 171687545
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide (CID 107162575) is N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide is Cc1ncccc1C(=O)N1CCC(C)(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide?
The InChIKey is QZEYTMMTISWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-11(4-3-7-16-10)12(19)18-8-5-14(2,6-9-18)13(15)17-20/h3-4,7,20H,5-6,8-9H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide has a molecular weight of 276.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).