2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide

C21H24F2N4O2 — CID 52502701

IUPAC2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
SMILESN/C(=N\OCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C21H24F2N4O2/c22-18-9-8-16(12-19(18)23)25-20(28)14-29-26-21(24)17-7-3-2-6-15(17)13-27-10-4-1-5-11-27/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H2,24,26)(H,25,28)
InChIKeyYLWHBSICGWISET-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.23
Rot. Bonds7

About 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide

2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide (PubChem CID 52502701) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
PubChem CID52502701
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
SMILESN/C(=N\OCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C21H24F2N4O2/c22-18-9-8-16(12-19(18)23)25-20(28)14-29-26-21(24)17-7-3-2-6-15(17)13-27-10-4-1-5-11-27/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H2,24,26)(H,25,28)
InChIKeyYLWHBSICGWISET-UHFFFAOYSA-N
XLogP3.23
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide 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

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 60602674
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
CID 52909258
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065853
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
CID 10891589
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 51228284
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide (CID 52502701) is 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide is N/C(=N\OCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1.
What is the InChIKey of 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide?
The InChIKey is YLWHBSICGWISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c22-18-9-8-16(12-19(18)23)25-20(28)14-29-26-21(24)17-7-3-2-6-15(17)13-27-10-4-1-5-11-27/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H2,24,26)(H,25,28).
What are the key properties of 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide?
2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[2-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 52502701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).