2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide

C13H25N3O3 — CID 76920901

IUPAC2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide
SMILESCCC(CC)(C(=O)N1CCC(CO)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2,11(14)15-19)12(18)16-7-5-10(9-17)6-8-16/h10,17,19H,3-9H2,1-2H3,(H2,14,15)
InChIKeyZQHZMUDIQQJWJH-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.77
Rot. Bonds5

About 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide

2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide (PubChem CID 76920901) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide
PubChem CID76920901
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide
SMILESCCC(CC)(C(=O)N1CCC(CO)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2,11(14)15-19)12(18)16-7-5-10(9-17)6-8-16/h10,17,19H,3-9H2,1-2H3,(H2,14,15)
InChIKeyZQHZMUDIQQJWJH-UHFFFAOYSA-N
XLogP0.77
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide (CID 76920901) is 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide is CCC(CC)(C(=O)N1CCC(CO)CC1)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide?
The InChIKey is ZQHZMUDIQQJWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-13(4-2,11(14)15-19)12(18)16-7-5-10(9-17)6-8-16/h10,17,19H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide?
2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide has a molecular weight of 271.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide is sourced from PubChem (CID 76920901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).