N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C22H25N3O3 — CID 126013213

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccccc1/C=N\NC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C22H25N3O3/c1-16-7-3-5-9-19(16)22(27)25-13-11-17(12-14-25)21(26)24-23-15-18-8-4-6-10-20(18)28-2/h3-10,15,17H,11-14H2,1-2H3,(H,24,26)/b23-15-
InChIKeyPZTMRJLUUFNJHH-HAHDFKILSA-N
MW379.46 g/mol
LogP3.01
Rot. Bonds5

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 126013213) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID126013213
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccccc1/C=N\NC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C22H25N3O3/c1-16-7-3-5-9-19(16)22(27)25-13-11-17(12-14-25)21(26)24-23-15-18-8-4-6-10-20(18)28-2/h3-10,15,17H,11-14H2,1-2H3,(H,24,26)/b23-15-
InChIKeyPZTMRJLUUFNJHH-HAHDFKILSA-N
XLogP3.01
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
1-(2-methylbenzoyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126012744
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012354
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014066
1-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940
1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 126013213) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide is COc1ccccc1/C=N\NC(=O)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is PZTMRJLUUFNJHH-HAHDFKILSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-7-3-5-9-19(16)22(27)25-13-11-17(12-14-25)21(26)24-23-15-18-8-4-6-10-20(18)28-2/h3-10,15,17H,11-14H2,1-2H3,(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126013213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).