2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide

C13H25N3O2 — CID 76939929

IUPAC2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCC(C)CC1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-5-11(12(14)15-18)13(17)16-7-6-9(2)8-10(16)3/h9-11,18H,4-8H2,1-3H3,(H2,14,15)
InChIKeyHXLXEJMXDZAZCR-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.80
Rot. Bonds4

About 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide

2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide (PubChem CID 76939929) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
PubChem CID76939929
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCC(C)CC1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-5-11(12(14)15-18)13(17)16-7-6-9(2)8-10(16)3/h9-11,18H,4-8H2,1-3H3,(H2,14,15)
InChIKeyHXLXEJMXDZAZCR-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.80
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'}

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Related Compounds

(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 79181074
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
N'-hydroxy-2-[2-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 112748780
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanimidamide
CID 81208282
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 113356030
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxypentanimidamide
CID 76924781
2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76925085
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 62331621

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide (CID 76939929) is 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide is CCCC(C(=O)N1CCC(C)CC1C)C(N)=NO.
What is the InChIKey of 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
The InChIKey is HXLXEJMXDZAZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-11(12(14)15-18)13(17)16-7-6-9(2)8-10(16)3/h9-11,18H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76939929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).