N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide

C21H22BrN3O3 — CID 126013238

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C21H22BrN3O3/c1-28-19-7-5-17(6-8-19)21(27)25-11-9-16(10-12-25)20(26)24-23-14-15-3-2-4-18(22)13-15/h2-8,13-14,16H,9-12H2,1H3,(H,24,26)/b23-14-
InChIKeyQKEBXWNMWPDBCN-UCQKPKSFSA-N
MW444.33 g/mol
LogP3.46
Rot. Bonds5

About N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide

N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126013238) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID126013238
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C21H22BrN3O3/c1-28-19-7-5-17(6-8-19)21(27)25-11-9-16(10-12-25)20(26)24-23-14-15-3-2-4-18(22)13-15/h2-8,13-14,16H,9-12H2,1H3,(H,24,26)/b23-14-
InChIKeyQKEBXWNMWPDBCN-UCQKPKSFSA-N
XLogP3.46
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.46
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

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
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
methyl 4-[[[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 3349670
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 126013819
1-benzoyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011002
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-[(4-bromophenyl)methyl]-N-[(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 1273613
N-[(E)-(3-methoxyphenyl)methylideneamino]-1-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]piperidine-4-carboxamide
CID 89119428

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide (CID 126013238) is N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)N/N=C\c3cccc(Br)c3)CC2)cc1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is QKEBXWNMWPDBCN-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-28-19-7-5-17(6-8-19)21(27)25-11-9-16(10-12-25)20(26)24-23-14-15-3-2-4-18(22)13-15/h2-8,13-14,16H,9-12H2,1H3,(H,24,26)/b23-14-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126013238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).