(Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide

C22H24N4O2 — CID 177003155

IUPAC(Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide
SMILES[H]/N=C(/C=C(C(\N)=N\C)/c1ccc(N2CCC(=O)CC2)cc1)c1ccccc1O
InChIInChI=1S/C22H24N4O2/c1-25-22(24)19(14-20(23)18-4-2-3-5-21(18)28)15-6-8-16(9-7-15)26-12-10-17(27)11-13-26/h2-9,14,23,28H,10-13H2,1H3,(H2,24,25)/b19-14-,23-20-
InChIKeyAJJDKRNXJNBAAH-IVCRMHHOSA-N
MW376.46 g/mol
LogP3.00
Rot. Bonds5

About (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide

(Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide (PubChem CID 177003155) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide
PubChem CID177003155
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide
SMILES[H]/N=C(/C=C(C(\N)=N\C)/c1ccc(N2CCC(=O)CC2)cc1)c1ccccc1O
InChIInChI=1S/C22H24N4O2/c1-25-22(24)19(14-20(23)18-4-2-3-5-21(18)28)15-6-8-16(9-7-15)26-12-10-17(27)11-13-26/h2-9,14,23,28H,10-13H2,1H3,(H2,24,25)/b19-14-,23-20-
InChIKeyAJJDKRNXJNBAAH-IVCRMHHOSA-N
XLogP3.00
TPSA102.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide 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

(Z)-4-(2-hydroxyphenyl)-4-imino-2-[4-[4-[4-[4-(2-oxooxolan-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]phenyl]but-2-enimidamide
CID 177002913
(E)-2-[4-(4-formylphenyl)piperazin-1-yl]-4-(2-hydroxyphenyl)-4-iminobut-2-enimidamide
CID 155740776
2-[4-[3-[4-[4-[(Z)-1-amino-4-(2-hydroxyphenyl)-1,4-diiminobut-2-en-2-yl]phenyl]piperidin-1-yl]azetidin-1-yl]phenoxy]-N-methyl-5-oxopentanamide
CID 177002991
1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one
CID 83972010
1-(2-hydroxyphenyl)piperidin-4-one
CID 71419745
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide
CID 177002936
2-[(1Z)-1,4,4-triamino-3-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]buta-1,3-dienyl]phenol
CID 177003107
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
ethane;(E)-4-(2-hydroxyphenyl)-4-imino-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]but-2-enimidamide
CID 171638911
4-(4-oxopiperidin-1-yl)benzaldehyde
CID 12717443
1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one
CID 22973667

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide?
The IUPAC name of (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide (CID 177003155) is (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide.
What is the SMILES notation for (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide?
The canonical SMILES for (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide is [H]/N=C(/C=C(C(\N)=N\C)/c1ccc(N2CCC(=O)CC2)cc1)c1ccccc1O.
What is the InChIKey of (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide?
The InChIKey is AJJDKRNXJNBAAH-IVCRMHHOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-22(24)19(14-20(23)18-4-2-3-5-21(18)28)15-6-8-16(9-7-15)26-12-10-17(27)11-13-26/h2-9,14,23,28H,10-13H2,1H3,(H2,24,25)/b19-14-,23-20-.
What are the key properties of (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide?
(Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide has a molecular weight of 376.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-hydroxyphenyl)-4-imino-N'-methyl-2-[4-(4-oxopiperidin-1-yl)phenyl]but-2-enimidamide is sourced from PubChem (CID 177003155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).