1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide

C12H23N3O2 — CID 77041256

IUPAC1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCCC(CC)C(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C12H23N3O2/c1-3-9(4-2)12(16)15-7-5-6-10(8-15)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyUJSGXYJXTVEPHX-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.41
Rot. Bonds4

About 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041256) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041256
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCCC(CC)C(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C12H23N3O2/c1-3-9(4-2)12(16)15-7-5-6-10(8-15)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyUJSGXYJXTVEPHX-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.41
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 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-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

N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
CID 79156002
1-(3-ethoxypropanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041945
1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041761
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
CID 113329988

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041256) is 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide is CCC(CC)C(=O)N1CCCC(C(N)=NO)C1.
What is the InChIKey of 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is UJSGXYJXTVEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(4-2)12(16)15-7-5-6-10(8-15)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).