N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide

C11H19N3O3 — CID 77041531

IUPACN'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C11H19N3O3/c12-10(13-16)8-3-1-5-14(7-8)11(15)9-4-2-6-17-9/h8-9,16H,1-7H2,(H2,12,13)
InChIKeyQTFMIPNBZSVLGW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.15
Rot. Bonds2

About N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide

N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide (PubChem CID 77041531) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
PubChem CID77041531
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C11H19N3O3/c12-10(13-16)8-3-1-5-14(7-8)11(15)9-4-2-6-17-9/h8-9,16H,1-7H2,(H2,12,13)
InChIKeyQTFMIPNBZSVLGW-UHFFFAOYSA-N
XLogP0.15
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.15
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'}

Analyze N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-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

(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
CID 79156002
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 174348554
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041903

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide (CID 77041531) is N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)C2CCCO2)C1.
What is the InChIKey of N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide?
The InChIKey is QTFMIPNBZSVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-10(13-16)8-3-1-5-14(7-8)11(15)9-4-2-6-17-9/h8-9,16H,1-7H2,(H2,12,13).
What are the key properties of N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide has a molecular weight of 241.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).