N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C21H22F3N3O2 — CID 126246937

IUPACN-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O2/c1-29-19-13-18(27-10-3-2-4-11-27)9-8-16(19)14-25-26-20(28)15-6-5-7-17(12-15)21(22,23)24/h5-9,12-14H,2-4,10-11H2,1H3,(H,26,28)/b25-14-
InChIKeyVDUUPKOWSZBKKV-QFEZKATASA-N
MW405.42 g/mol
LogP4.47
Rot. Bonds5

About N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 126246937) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID126246937
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC NameN-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O2/c1-29-19-13-18(27-10-3-2-4-11-27)9-8-16(19)14-25-26-20(28)15-6-5-7-17(12-15)21(22,23)24/h5-9,12-14H,2-4,10-11H2,1H3,(H,26,28)/b25-14-
InChIKeyVDUUPKOWSZBKKV-QFEZKATASA-N
XLogP4.47
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.47
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

N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126230211
4-hydroxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 126243453
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 4620646
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 40591844
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211151
5-bromo-7-methoxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126253070
3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
CID 5426050
1-ethyl-3-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 4545514
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589258
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6056382
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide
CID 5123231

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 126246937) is N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is VDUUPKOWSZBKKV-QFEZKATASA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-29-19-13-18(27-10-3-2-4-11-27)9-8-16(19)14-25-26-20(28)15-6-5-7-17(12-15)21(22,23)24/h5-9,12-14H,2-4,10-11H2,1H3,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 405.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126246937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).