1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide

C21H22ClN3O4 — CID 137022805

IUPAC1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1O
InChIInChI=1S/C21H22ClN3O4/c1-29-18-8-4-5-15(19(18)26)13-23-24-20(27)14-9-11-25(12-10-14)21(28)16-6-2-3-7-17(16)22/h2-8,13-14,26H,9-12H2,1H3,(H,24,27)/b23-13-
InChIKeyQZIYYRNGKSBRGO-QRVIBDJDSA-N
MW415.88 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 137022805) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID137022805
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1O
InChIInChI=1S/C21H22ClN3O4/c1-29-18-8-4-5-15(19(18)26)13-23-24-20(27)14-9-11-25(12-10-14)21(28)16-6-2-3-7-17(16)22/h2-8,13-14,26H,9-12H2,1H3,(H,24,27)/b23-13-
InChIKeyQZIYYRNGKSBRGO-QRVIBDJDSA-N
XLogP3.06
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide 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

N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 126013213
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014066
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 135603106
(4R)-1-[[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]carbamothioyl]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 136728364
1-[(2-bicyclo[2.2.1]hept-5-enylamino)carbamothioyl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 135520610

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 137022805) is 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1cccc(/C=N\NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1O.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is QZIYYRNGKSBRGO-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-29-18-8-4-5-15(19(18)26)13-23-24-20(27)14-9-11-25(12-10-14)21(28)16-6-2-3-7-17(16)22/h2-8,13-14,26H,9-12H2,1H3,(H,24,27)/b23-13-.
What are the key properties of 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 137022805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).