1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide

C21H19ClF3N3O2 — CID 126011452

IUPAC1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClF3N3O2/c22-17-7-5-15(6-8-17)20(30)28-11-9-14(10-12-28)19(29)27-26-13-16-3-1-2-4-18(16)21(23,24)25/h1-8,13-14H,9-12H2,(H,27,29)/b26-13-
InChIKeyFKDDDCDUJFNDRM-ZMFRSBBQSA-N
MW437.85 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide (PubChem CID 126011452) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
PubChem CID126011452
Molecular FormulaC21H19ClF3N3O2
Molecular Weight437.85 g/mol
Exact Mass437.11
IUPAC Name1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClF3N3O2/c22-17-7-5-15(6-8-17)20(30)28-11-9-14(10-12-28)19(29)27-26-13-16-3-1-2-4-18(16)21(23,24)25/h1-8,13-14H,9-12H2,(H,27,29)/b26-13-
InChIKeyFKDDDCDUJFNDRM-ZMFRSBBQSA-N
XLogP4.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.85
LogP ≤ 54.36
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-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011130
1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011043
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 126012282
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
1-benzoyl-N-[(Z)-thiophen-2-ylmethylideneamino]piperidine-4-carboxamide
CID 126011112
(3R)-1-methylsulfonyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-3-carboxamide
CID 27520642
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide (CID 126011452) is 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
The InChIKey is FKDDDCDUJFNDRM-ZMFRSBBQSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c22-17-7-5-15(6-8-17)20(30)28-11-9-14(10-12-28)19(29)27-26-13-16-3-1-2-4-18(16)21(23,24)25/h1-8,13-14H,9-12H2,(H,27,29)/b26-13-.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide has a molecular weight of 437.85 g/mol, XLogP of 4.36, 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-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).