2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide

C12H23N3O2 — CID 76926378

IUPAC2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCCCC1CC)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-3-9-7-5-6-8-15(9)12(16)10(4-2)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyPGNRHPAVRCCLNS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide

2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide (PubChem CID 76926378) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
PubChem CID76926378
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
SMILESCCC(C(=O)N1CCCCC1CC)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-3-9-7-5-6-8-15(9)12(16)10(4-2)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyPGNRHPAVRCCLNS-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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

N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N'-hydroxybutanimidamide
CID 102727565
2-(2-ethylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 104691118
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
CID 79925192
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
N'-hydroxy-2-[2-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 112748780
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
N'-hydroxy-2-(4-methylazepane-1-carbonyl)butanimidamide
CID 77002393

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide (CID 76926378) is 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide is CCC(C(=O)N1CCCCC1CC)C(N)=NO.
What is the InChIKey of 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
The InChIKey is PGNRHPAVRCCLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9-7-5-6-8-15(9)12(16)10(4-2)11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide?
2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76926378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).