N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide

C9H17N3O3 — CID 43156168

IUPACN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCC(CO)CC1)=N\O
InChIInChI=1S/C9H17N3O3/c10-8(11-15)5-9(14)12-3-1-7(6-13)2-4-12/h7,13,15H,1-6H2,(H2,10,11)
InChIKeyGJJDHESVWSMRIV-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.65
Rot. Bonds3

About N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide

N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide (PubChem CID 43156168) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
PubChem CID43156168
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCC(CO)CC1)=N\O
InChIInChI=1S/C9H17N3O3/c10-8(11-15)5-9(14)12-3-1-7(6-13)2-4-12/h7,13,15H,1-6H2,(H2,10,11)
InChIKeyGJJDHESVWSMRIV-UHFFFAOYSA-N
XLogP-0.65
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
N'-hydroxy-3-(4-methylpiperidin-1-yl)-3-oxopropanimidamide
CID 43155931
1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide
CID 43156075
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-3-oxopropanimidamide
CID 43156134
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368034
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43584866
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
CID 43590586
3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 55158926
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 61421519
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)-3-oxopropanimidamide
CID 61439435
N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524530

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide (CID 43156168) is N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide is N/C(CC(=O)N1CCC(CO)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
The InChIKey is GJJDHESVWSMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-8(11-15)5-9(14)12-3-1-7(6-13)2-4-12/h7,13,15H,1-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide?
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide has a molecular weight of 215.25 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide is sourced from PubChem (CID 43156168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).