N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide

C10H19N3O3 — CID 43156140

IUPACN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCCCC1CCO)=N\O
InChIInChI=1S/C10H19N3O3/c11-9(12-16)7-10(15)13-5-2-1-3-8(13)4-6-14/h8,14,16H,1-7H2,(H2,11,12)
InChIKeyPRNGMKJIUIEKFI-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.11
Rot. Bonds4

About N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide

N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide (PubChem CID 43156140) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide
PubChem CID43156140
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCCCC1CCO)=N\O
InChIInChI=1S/C10H19N3O3/c11-9(12-16)7-10(15)13-5-2-1-3-8(13)4-6-14/h8,14,16H,1-7H2,(H2,11,12)
InChIKeyPRNGMKJIUIEKFI-UHFFFAOYSA-N
XLogP-0.11
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.11
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

3-Amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 16784530
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24701879
N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 24705535
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43175039
N'-hydroxy-5-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 54965966
N'-hydroxy-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-oxopropanimidamide
CID 55211078
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
CID 61407221
N'-hydroxy-2-[2-(hydroxymethyl)piperidine-1-carbonyl]-3-methylbutanimidamide
CID 61858404
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-3-oxopropanimidamide
CID 61858963
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidine-1-carbonyl]butanimidamide
CID 61858964
N'-hydroxy-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-oxopropanimidamide
CID 76175190
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 76883639

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide (CID 43156140) is N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide is N/C(CC(=O)N1CCCCC1CCO)=N\O.
What is the InChIKey of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide?
The InChIKey is PRNGMKJIUIEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-9(12-16)7-10(15)13-5-2-1-3-8(13)4-6-14/h8,14,16H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide?
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide has a molecular weight of 229.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropanimidamide is sourced from PubChem (CID 43156140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).