1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide

C22H25N3O4 — CID 126012287

IUPAC1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-28-19-8-9-20(29-2)18(14-19)15-23-24-21(26)16-10-12-25(13-11-16)22(27)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)/b23-15-
InChIKeyJMTKAMQLOIDLMH-HAHDFKILSA-N
MW395.46 g/mol
LogP2.71
Rot. Bonds6

About 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide

1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126012287) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126012287
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-28-19-8-9-20(29-2)18(14-19)15-23-24-21(26)16-10-12-25(13-11-16)22(27)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)/b23-15-
InChIKeyJMTKAMQLOIDLMH-HAHDFKILSA-N
XLogP2.71
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033
1-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940
1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011130
1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 3862556
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012354
1-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 1275389
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126012287) is 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1ccc(OC)c(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is JMTKAMQLOIDLMH-HAHDFKILSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-19-8-9-20(29-2)18(14-19)15-23-24-21(26)16-10-12-25(13-11-16)22(27)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)/b23-15-.
What are the key properties of 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).