N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide

C10H20N4O2 — CID 77030093

IUPACN'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide
SMILESNC(CCCCNC1CCCNC1=O)=NO
InChIInChI=1S/C10H20N4O2/c11-9(14-16)5-1-2-6-12-8-4-3-7-13-10(8)15/h8,12,16H,1-7H2,(H2,11,14)(H,13,15)
InChIKeyRTKLXPQYDKKDCR-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.23
Rot. Bonds6

About N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide

N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide (PubChem CID 77030093) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide
PubChem CID77030093
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide
SMILESNC(CCCCNC1CCCNC1=O)=NO
InChIInChI=1S/C10H20N4O2/c11-9(14-16)5-1-2-6-12-8-4-3-7-13-10(8)15/h8,12,16H,1-7H2,(H2,11,14)(H,13,15)
InChIKeyRTKLXPQYDKKDCR-UHFFFAOYSA-N
XLogP-0.23
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
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

N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
CID 77030299
3-(pentylamino)piperidin-2-one
CID 62093756
3-(dodecylamino)piperidin-2-one
CID 63492267
3-(3-methylsulfonylpropylamino)piperidin-2-one
CID 63191547
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
3-(pent-4-ynylamino)azepan-2-one
CID 103711250
3-(pentylamino)pyrrolidin-2-one
CID 68641517
3-(3-ethoxypropylamino)azepan-2-one
CID 43199290
N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77030094
N'-hydroxy-5-[(1-oxothian-4-yl)amino]pentanimidamide
CID 104864689
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide (CID 77030093) is N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide is NC(CCCCNC1CCCNC1=O)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide?
The InChIKey is RTKLXPQYDKKDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c11-9(14-16)5-1-2-6-12-8-4-3-7-13-10(8)15/h8,12,16H,1-7H2,(H2,11,14)(H,13,15).
What are the key properties of N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide?
N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide has a molecular weight of 228.30 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide is sourced from PubChem (CID 77030093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).