3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide

C10H18N4O3 — CID 77109780

IUPAC3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H18N4O3/c1-2-6(5-8(11)14-17)12-7-3-4-9(15)13-10(7)16/h6-7,12,17H,2-5H2,1H3,(H2,11,14)(H,13,15,16)
InChIKeyQOEKIQCHAWDVGW-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.70
Rot. Bonds5

About 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide

3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide (PubChem CID 77109780) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
PubChem CID77109780
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H18N4O3/c1-2-6(5-8(11)14-17)12-7-3-4-9(15)13-10(7)16/h6-7,12,17H,2-5H2,1H3,(H2,11,14)(H,13,15,16)
InChIKeyQOEKIQCHAWDVGW-UHFFFAOYSA-N
XLogP-0.70
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide
CID 106189619
3-(but-3-en-2-ylamino)piperidine-2,6-dione
CID 107907204
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751
N-(2,6-dioxopiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594472
3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione
CID 166865172
3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77109740
N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77031419
3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
CID 107711048
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide (CID 77109780) is 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide?
The InChIKey is QOEKIQCHAWDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-6(5-8(11)14-17)12-7-3-4-9(15)13-10(7)16/h6-7,12,17H,2-5H2,1H3,(H2,11,14)(H,13,15,16).
What are the key properties of 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide?
3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide has a molecular weight of 242.28 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77109780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).