1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide

C21H21Cl2N3O3 — CID 126010670

IUPAC1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-29-17-4-2-3-14(11-17)13-24-25-20(27)15-7-9-26(10-8-15)21(28)18-6-5-16(22)12-19(18)23/h2-6,11-13,15H,7-10H2,1H3,(H,25,27)/b24-13-
InChIKeyAFJNTTPUYQLSKH-CFRMEGHHSA-N
MW434.32 g/mol
LogP4.00
Rot. Bonds5

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

1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126010670) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126010670
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-29-17-4-2-3-14(11-17)13-24-25-20(27)15-7-9-26(10-8-15)21(28)18-6-5-16(22)12-19(18)23/h2-6,11-13,15H,7-10H2,1H3,(H,25,27)/b24-13-
InChIKeyAFJNTTPUYQLSKH-CFRMEGHHSA-N
XLogP4.00
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.00
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-(2,4-dichlorobenzoyl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013121
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014303
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037
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
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126010670) is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide is COc1cccc(/C=N\NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is AFJNTTPUYQLSKH-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-29-17-4-2-3-14(11-17)13-24-25-20(27)15-7-9-26(10-8-15)21(28)18-6-5-16(22)12-19(18)23/h2-6,11-13,15H,7-10H2,1H3,(H,25,27)/b24-13-.
What are the key properties of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126010670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).