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

C20H17Cl4N3O2 — CID 126010821

IUPAC1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H17Cl4N3O2/c21-14-4-5-15(17(23)10-14)20(29)27-8-6-12(7-9-27)19(28)26-25-11-13-2-1-3-16(22)18(13)24/h1-5,10-12H,6-9H2,(H,26,28)/b25-11-
InChIKeyBEXSQDKELJVRTE-GATIEOLUSA-N
MW473.19 g/mol
LogP5.30
Rot. Bonds4

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

1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126010821) has the molecular formula C20H17Cl4N3O2 and a molecular weight of 473.19 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126010821
Molecular FormulaC20H17Cl4N3O2
Molecular Weight473.19 g/mol
Exact Mass471.01
IUPAC Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H17Cl4N3O2/c21-14-4-5-15(17(23)10-14)20(29)27-8-6-12(7-9-27)19(28)26-25-11-13-2-1-3-16(22)18(13)24/h1-5,10-12H,6-9H2,(H,26,28)/b25-11-
InChIKeyBEXSQDKELJVRTE-GATIEOLUSA-N
XLogP5.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.19
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014066
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423
1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013121
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011043
N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
CID 2294764

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide (CID 126010821) is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is BEXSQDKELJVRTE-GATIEOLUSA-N. The full InChI is InChI=1S/C20H17Cl4N3O2/c21-14-4-5-15(17(23)10-14)20(29)27-8-6-12(7-9-27)19(28)26-25-11-13-2-1-3-16(22)18(13)24/h1-5,10-12H,6-9H2,(H,26,28)/b25-11-.
What are the key properties of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 473.19 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126010821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).