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

C22H23Cl2N3O3 — CID 126014066

IUPAC1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O3/c1-2-30-20-6-4-3-5-16(20)14-25-26-21(28)15-9-11-27(12-10-15)22(29)18-8-7-17(23)13-19(18)24/h3-8,13-15H,2,9-12H2,1H3,(H,26,28)/b25-14-
InChIKeyWOTFJGZXCIHPBM-QFEZKATASA-N
MW448.35 g/mol
LogP4.39
Rot. Bonds6

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

1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126014066) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126014066
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O3/c1-2-30-20-6-4-3-5-16(20)14-25-26-21(28)15-9-11-27(12-10-15)22(29)18-8-7-17(23)13-19(18)24/h3-8,13-15H,2,9-12H2,1H3,(H,26,28)/b25-14-
InChIKeyWOTFJGZXCIHPBM-QFEZKATASA-N
XLogP4.39
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.39
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)-(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)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013121
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 126013213
1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 3862556
1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide (CID 126014066) is 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide is CCOc1ccccc1/C=N\NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is WOTFJGZXCIHPBM-QFEZKATASA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-2-30-20-6-4-3-5-16(20)14-25-26-21(28)15-9-11-27(12-10-15)22(29)18-8-7-17(23)13-19(18)24/h3-8,13-15H,2,9-12H2,1H3,(H,26,28)/b25-14-.
What are the key properties of 1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide?
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 448.35 g/mol, XLogP of 4.39, 6 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)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126014066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).