N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide

C11H21N3O2 — CID 103501053

IUPACN'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide
SMILESCC(C)C1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)9-3-5-14(6-4-9)11(15)7-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBINHWEHETZUMPB-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.02
Rot. Bonds3

About N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide

N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide (PubChem CID 103501053) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide
PubChem CID103501053
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide
SMILESCC(C)C1CCN(C(=O)CC(N)=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)9-3-5-14(6-4-9)11(15)7-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBINHWEHETZUMPB-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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'}

Analyze N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide 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

N'-hydroxy-3-(4-methoxypiperidin-1-yl)-3-oxopropanimidamide
CID 43373257
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43581927
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
N'-hydroxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-oxopropanimidamide
CID 81200219
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43155988
3-(3,4-dimethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 77000498
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide (CID 103501053) is N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide is CC(C)C1CCN(C(=O)CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide?
The InChIKey is BINHWEHETZUMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)9-3-5-14(6-4-9)11(15)7-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide?
N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide has a molecular weight of 227.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanimidamide is sourced from PubChem (CID 103501053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).