N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide

C9H18N4O3 — CID 43592295

IUPACN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCN(CCO)CC1)=N\O
InChIInChI=1S/C9H18N4O3/c10-8(11-16)7-9(15)13-3-1-12(2-4-13)5-6-14/h14,16H,1-7H2,(H2,10,11)
InChIKeyYCRGZLXYRADNHN-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.74
Rot. Bonds4

About N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide

N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide (PubChem CID 43592295) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide
PubChem CID43592295
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC NameN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide
SMILESN/C(CC(=O)N1CCN(CCO)CC1)=N\O
InChIInChI=1S/C9H18N4O3/c10-8(11-16)7-9(15)13-3-1-12(2-4-13)5-6-14/h14,16H,1-7H2,(H2,10,11)
InChIKeyYCRGZLXYRADNHN-UHFFFAOYSA-N
XLogP-1.74
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 16772098
(3Z)-3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide
CID 16777186
N'-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropanimidamide
CID 43155956
3-(4-acetylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43156103
N'-hydroxy-3-oxo-3-(4-propylpiperazin-1-yl)propanimidamide
CID 43156151
(3Z)-3-amino-3-hydroxyimino-N-(3-morpholin-4-ylpropyl)propanamide
CID 43348307
N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
CID 43585576
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
3-amino-N-butyl-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide
CID 55032143
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxy-3-oxopropanimidamide
CID 55128054
3-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 57360666
3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide
CID 57365502

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide (CID 43592295) is N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide is N/C(CC(=O)N1CCN(CCO)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide?
The InChIKey is YCRGZLXYRADNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c10-8(11-16)7-9(15)13-3-1-12(2-4-13)5-6-14/h14,16H,1-7H2,(H2,10,11).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide?
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide has a molecular weight of 230.27 g/mol, XLogP of -1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide is sourced from PubChem (CID 43592295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).