N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide

C21H22FN3O3 — CID 126013004

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H22FN3O3/c1-28-18-8-6-16(7-9-18)21(27)25-12-10-15(11-13-25)20(26)24-23-14-17-4-2-3-5-19(17)22/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b23-14-
InChIKeyNPZZCECABZBQDP-UCQKPKSFSA-N
MW383.42 g/mol
LogP2.84
Rot. Bonds5

About N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide

N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126013004) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID126013004
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H22FN3O3/c1-28-18-8-6-16(7-9-18)21(27)25-12-10-15(11-13-25)20(26)24-23-14-17-4-2-3-5-19(17)22/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b23-14-
InChIKeyNPZZCECABZBQDP-UCQKPKSFSA-N
XLogP2.84
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.84
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)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
1-(4-methoxybenzoyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010940
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)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238
1-(3-methoxybenzoyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]piperidine-4-carboxamide
CID 126011130
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
1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
1-(3,5-dimethoxybenzoyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 3862556
N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 126013213
methyl 4-[[[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 3349670

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide (CID 126013004) is N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is NPZZCECABZBQDP-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-28-18-8-6-16(7-9-18)21(27)25-12-10-15(11-13-25)20(26)24-23-14-17-4-2-3-5-19(17)22/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b23-14-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126013004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).