N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide

C20H19BrClN3O2 — CID 126012715

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H19BrClN3O2/c21-16-5-3-4-14(12-16)13-23-24-19(26)15-8-10-25(11-9-15)20(27)17-6-1-2-7-18(17)22/h1-7,12-13,15H,8-11H2,(H,24,26)/b23-13-
InChIKeyMCXHNPUNXGMABH-QRVIBDJDSA-N
MW448.75 g/mol
LogP4.11
Rot. Bonds4

About N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide

N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 126012715) has the molecular formula C20H19BrClN3O2 and a molecular weight of 448.75 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID126012715
Molecular FormulaC20H19BrClN3O2
Molecular Weight448.75 g/mol
Exact Mass447.03
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H19BrClN3O2/c21-16-5-3-4-14(12-16)13-23-24-19(26)15-8-10-25(11-9-15)20(27)17-6-1-2-7-18(17)22/h1-7,12-13,15H,8-11H2,(H,24,26)/b23-13-
InChIKeyMCXHNPUNXGMABH-QRVIBDJDSA-N
XLogP4.11
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.75
LogP ≤ 54.11
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-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014303
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013121
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 6283209
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide (CID 126012715) is N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide is O=C(N/N=C\c1cccc(Br)c1)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is MCXHNPUNXGMABH-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H19BrClN3O2/c21-16-5-3-4-14(12-16)13-23-24-19(26)15-8-10-25(11-9-15)20(27)17-6-1-2-7-18(17)22/h1-7,12-13,15H,8-11H2,(H,24,26)/b23-13-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 448.75 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126012715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).