N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide

C15H24N4O2 — CID 76915531

IUPACN'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-14(15(16)17-20)19-10-8-18(9-11-19)12-4-6-13(21-2)7-5-12/h4-7,14,20H,3,8-11H2,1-2H3,(H2,16,17)
InChIKeyVKBOGPKJLJWDME-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.34
Rot. Bonds5

About N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide

N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide (PubChem CID 76915531) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
PubChem CID76915531
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-14(15(16)17-20)19-10-8-18(9-11-19)12-4-6-13(21-2)7-5-12/h4-7,14,20H,3,8-11H2,1-2H3,(H2,16,17)
InChIKeyVKBOGPKJLJWDME-UHFFFAOYSA-N
XLogP1.34
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-(4-methoxyphenyl)piperazin-1-yl]butanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 55080376
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
3-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60913997
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide
CID 77064371
4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 87704248
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 80693908
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide (CID 76915531) is N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide?
The InChIKey is VKBOGPKJLJWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-14(15(16)17-20)19-10-8-18(9-11-19)12-4-6-13(21-2)7-5-12/h4-7,14,20H,3,8-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide has a molecular weight of 292.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 76915531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).