N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide

C12H23N3O2 — CID 77039261

IUPACN'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide
SMILESCC(C)CCC(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)3-4-11(16)15-7-5-10(6-8-15)12(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyATOJOLVYKXLVRH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.41
Rot. Bonds4

About N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide

N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide (PubChem CID 77039261) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide
PubChem CID77039261
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide
SMILESCC(C)CCC(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)3-4-11(16)15-7-5-10(6-8-15)12(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyATOJOLVYKXLVRH-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 N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-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'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 77038741
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one
CID 28780585
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
1-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpentan-1-one
CID 82700911
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
N'-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboximidamide
CID 103557944
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide (CID 77039261) is N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide is CC(C)CCC(=O)N1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide?
The InChIKey is ATOJOLVYKXLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)3-4-11(16)15-7-5-10(6-8-15)12(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-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 N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77039261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).