N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide

C12H24N4O2 — CID 113406276

IUPACN'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide
SMILESNC(CCCCNCC(=O)N1CCCCC1)=NO
InChIInChI=1S/C12H24N4O2/c13-11(15-18)6-2-3-7-14-10-12(17)16-8-4-1-5-9-16/h14,18H,1-10H2,(H2,13,15)
InChIKeyZVPRFHCUPNZIJO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.51
Rot. Bonds7

About N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide

N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide (PubChem CID 113406276) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide
PubChem CID113406276
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide
SMILESNC(CCCCNCC(=O)N1CCCCC1)=NO
InChIInChI=1S/C12H24N4O2/c13-11(15-18)6-2-3-7-14-10-12(17)16-8-4-1-5-9-16/h14,18H,1-10H2,(H2,13,15)
InChIKeyZVPRFHCUPNZIJO-UHFFFAOYSA-N
XLogP0.51
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide
CID 79152311
2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
CID 114127342
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
CID 77052783
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
CID 63226480
N-(5-amino-5-hydroxyiminopentyl)cyclopentanecarboxamide
CID 77036807
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide (CID 113406276) is N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide is NC(CCCCNCC(=O)N1CCCCC1)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide?
The InChIKey is ZVPRFHCUPNZIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-11(15-18)6-2-3-7-14-10-12(17)16-8-4-1-5-9-16/h14,18H,1-10H2,(H2,13,15).
What are the key properties of N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide?
N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide has a molecular weight of 256.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide is sourced from PubChem (CID 113406276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).