N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide

C12H21N3O3 — CID 80596778

IUPACN'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCCC2CO)CCC1
InChIInChI=1S/C12H21N3O3/c13-10(14-18)12(5-3-6-12)11(17)15-7-2-1-4-9(15)8-16/h9,16,18H,1-8H2,(H2,13,14)
InChIKeyIJAXHGOZFLQDKI-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.28
Rot. Bonds3

About N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide

N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide (PubChem CID 80596778) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
PubChem CID80596778
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCCC2CO)CCC1
InChIInChI=1S/C12H21N3O3/c13-10(14-18)12(5-3-6-12)11(17)15-7-2-1-4-9(15)8-16/h9,16,18H,1-8H2,(H2,13,14)
InChIKeyIJAXHGOZFLQDKI-UHFFFAOYSA-N
XLogP0.28
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.28
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'}

Analyze N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
N'-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596897
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 113356031
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
N'-hydroxy-1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 80597477
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80594478

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide (CID 80596778) is N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCCCC2CO)CCC1.
What is the InChIKey of N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide?
The InChIKey is IJAXHGOZFLQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-10(14-18)12(5-3-6-12)11(17)15-7-2-1-4-9(15)8-16/h9,16,18H,1-8H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide?
N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide is sourced from PubChem (CID 80596778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).