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

C22H27ClN4O3 — CID 52909258

IUPAC2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CO/N=C(\N)c2cccc(CN3CCCCC3)c2)cc1Cl
InChIInChI=1S/C22H27ClN4O3/c1-29-20-9-8-18(13-19(20)23)25-21(28)15-30-26-22(24)17-7-5-6-16(12-17)14-27-10-3-2-4-11-27/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H2,24,26)(H,25,28)
InChIKeyQGJIOAOWQXIQIL-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.61
Rot. Bonds8

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

2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 52909258) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID52909258
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CO/N=C(\N)c2cccc(CN3CCCCC3)c2)cc1Cl
InChIInChI=1S/C22H27ClN4O3/c1-29-20-9-8-18(13-19(20)23)25-21(28)15-30-26-22(24)17-7-5-6-16(12-17)14-27-10-3-2-4-11-27/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H2,24,26)(H,25,28)
InChIKeyQGJIOAOWQXIQIL-UHFFFAOYSA-N
XLogP3.61
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
CID 52767527
N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 126799666
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-(3-chloro-4-methoxyphenyl)guanidine
CID 111066825
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 60615571
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)guanidine
CID 111059159
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870977
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111059158
2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide
CID 72691990
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide (CID 52909258) is 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CO/N=C(\N)c2cccc(CN3CCCCC3)c2)cc1Cl.
What is the InChIKey of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is QGJIOAOWQXIQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-29-20-9-8-18(13-19(20)23)25-21(28)15-30-26-22(24)17-7-5-6-16(12-17)14-27-10-3-2-4-11-27/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H2,24,26)(H,25,28).
What are the key properties of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 430.94 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 52909258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).