1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide

C22H22F3N3O3 — CID 126011130

IUPAC1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C22H22F3N3O3/c1-31-18-7-4-6-16(13-18)21(30)28-11-9-15(10-12-28)20(29)27-26-14-17-5-2-3-8-19(17)22(23,24)25/h2-8,13-15H,9-12H2,1H3,(H,27,29)/b26-14-
InChIKeyDJKMUQABFRGXAA-WGARJPEWSA-N
MW433.43 g/mol
LogP3.72
Rot. Bonds5

About 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide

1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide (PubChem CID 126011130) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
PubChem CID126011130
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C22H22F3N3O3/c1-31-18-7-4-6-16(13-18)21(30)28-11-9-15(10-12-28)20(29)27-26-14-17-5-2-3-8-19(17)22(23,24)25/h2-8,13-15H,9-12H2,1H3,(H,27,29)/b26-14-
InChIKeyDJKMUQABFRGXAA-WGARJPEWSA-N
XLogP3.72
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.72
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)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
1-(4-chlorobenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011452
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
1-(4-methoxybenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011033
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 3862556
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
1-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide (CID 126011130) is 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
The InChIKey is DJKMUQABFRGXAA-WGARJPEWSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-31-18-7-4-6-16(13-18)21(30)28-11-9-15(10-12-28)20(29)27-26-14-17-5-2-3-8-19(17)22(23,24)25/h2-8,13-15H,9-12H2,1H3,(H,27,29)/b26-14-.
What are the key properties of 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide?
1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126011130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).