1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide

C20H18Cl3N3O2 — CID 126011043

IUPAC1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18Cl3N3O2/c21-15-6-4-14(5-7-15)20(28)26-10-8-13(9-11-26)19(27)25-24-12-16-17(22)2-1-3-18(16)23/h1-7,12-13H,8-11H2,(H,25,27)/b24-12-
InChIKeyCWFYLRQCRLIFBP-MSXFZWOLSA-N
MW438.74 g/mol
LogP4.65
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126011043) has the molecular formula C20H18Cl3N3O2 and a molecular weight of 438.74 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126011043
Molecular FormulaC20H18Cl3N3O2
Molecular Weight438.74 g/mol
Exact Mass437.05
IUPAC Name1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18Cl3N3O2/c21-15-6-4-14(5-7-15)20(28)26-10-8-13(9-11-26)19(27)25-24-12-16-17(22)2-1-3-18(16)23/h1-7,12-13H,8-11H2,(H,25,27)/b24-12-
InChIKeyCWFYLRQCRLIFBP-MSXFZWOLSA-N
XLogP4.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 54.65
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

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 126012282
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420026
1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011452
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
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide
CID 126011112
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide (CID 126011043) is 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is CWFYLRQCRLIFBP-MSXFZWOLSA-N. The full InChI is InChI=1S/C20H18Cl3N3O2/c21-15-6-4-14(5-7-15)20(28)26-10-8-13(9-11-26)19(27)25-24-12-16-17(22)2-1-3-18(16)23/h1-7,12-13H,8-11H2,(H,25,27)/b24-12-.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 438.74 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).