N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide

C11H24N4O2 — CID 55201005

IUPACN'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide
SMILESCOCCCN1CCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O2/c1-10(11(12)13-16)15-7-5-14(6-8-15)4-3-9-17-2/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyFXNXZQRMQRPENU-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.22
Rot. Bonds6

About N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide (PubChem CID 55201005) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide
PubChem CID55201005
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide
SMILESCOCCCN1CCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O2/c1-10(11(12)13-16)15-7-5-14(6-8-15)4-3-9-17-2/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyFXNXZQRMQRPENU-UHFFFAOYSA-N
XLogP-0.22
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide (CID 55201005) is N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide is COCCCN1CCN(C(C)/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide?
The InChIKey is FXNXZQRMQRPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-10(11(12)13-16)15-7-5-14(6-8-15)4-3-9-17-2/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 55201005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).