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

C20H18Cl2FN3O2 — CID 126012282

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H18Cl2FN3O2/c21-17-2-1-3-18(22)16(17)12-24-25-19(27)13-8-10-26(11-9-13)20(28)14-4-6-15(23)7-5-14/h1-7,12-13H,8-11H2,(H,25,27)/b24-12-
InChIKeyJJYGSEFVYQKJCU-MSXFZWOLSA-N
MW422.29 g/mol
LogP4.14
Rot. Bonds4

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

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 126012282) has the molecular formula C20H18Cl2FN3O2 and a molecular weight of 422.29 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID126012282
Molecular FormulaC20H18Cl2FN3O2
Molecular Weight422.29 g/mol
Exact Mass421.08
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H18Cl2FN3O2/c21-17-2-1-3-18(22)16(17)12-24-25-19(27)13-8-10-26(11-9-13)20(28)14-4-6-15(23)7-5-14/h1-7,12-13H,8-11H2,(H,25,27)/b24-12-
InChIKeyJJYGSEFVYQKJCU-MSXFZWOLSA-N
XLogP4.14
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.14
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-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011043
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420026
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011452
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55700862
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
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
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 126012282) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is O=C(N/N=C\c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is JJYGSEFVYQKJCU-MSXFZWOLSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2/c21-17-2-1-3-18(22)16(17)12-24-25-19(27)13-8-10-26(11-9-13)20(28)14-4-6-15(23)7-5-14/h1-7,12-13H,8-11H2,(H,25,27)/b24-12-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126012282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).