N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide

C11H21N3O2 — CID 76926751

IUPACN'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCCCC1C)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-3-9(10(12)13-16)11(15)14-7-5-4-6-8(14)2/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyZQXWXABUTLTXSI-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds3

About N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide

N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide (PubChem CID 76926751) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
PubChem CID76926751
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCCCC1C)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-3-9(10(12)13-16)11(15)14-7-5-4-6-8(14)2/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyZQXWXABUTLTXSI-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
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

2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 76926378
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
CID 79925192
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N'-hydroxybutanimidamide
CID 102727565
N'-hydroxy-2-(4-methylazepane-1-carbonyl)butanimidamide
CID 77002393
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 76926774
2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76939929
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
CID 77000593
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide
CID 77021433

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide (CID 76926751) is N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide is CCC(C(=O)N1CCCCC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
The InChIKey is ZQXWXABUTLTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-9(10(12)13-16)11(15)14-7-5-4-6-8(14)2/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide?
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide is sourced from PubChem (CID 76926751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).