N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide

C17H25N5O3 — CID 58861104

IUPACN-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide
SMILESO=C(CN1CCN(c2ccc(/N=C/NO)cc2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N5O3/c23-17(22-9-11-25-12-10-22)13-20-5-7-21(8-6-20)16-3-1-15(2-4-16)18-14-19-24/h1-4,14,24H,5-13H2,(H,18,19)
InChIKeyBQSRQBICXVFESH-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.31
Rot. Bonds5

About N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide

N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide (PubChem CID 58861104) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide
PubChem CID58861104
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide
SMILESO=C(CN1CCN(c2ccc(/N=C/NO)cc2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N5O3/c23-17(22-9-11-25-12-10-22)13-20-5-7-21(8-6-20)16-3-1-15(2-4-16)18-14-19-24/h1-4,14,24H,5-13H2,(H,18,19)
InChIKeyBQSRQBICXVFESH-UHFFFAOYSA-N
XLogP0.31
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide 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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
CID 50782508
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-morpholin-4-yl-2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 2867505
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide (CID 58861104) is N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide is O=C(CN1CCN(c2ccc(/N=C/NO)cc2)CC1)N1CCOCC1.
What is the InChIKey of N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide?
The InChIKey is BQSRQBICXVFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-17(22-9-11-25-12-10-22)13-20-5-7-21(8-6-20)16-3-1-15(2-4-16)18-14-19-24/h1-4,14,24H,5-13H2,(H,18,19).
What are the key properties of N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide?
N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide has a molecular weight of 347.42 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]phenyl]methanimidamide is sourced from PubChem (CID 58861104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).