N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide

C21H24BrN3O4 — CID 55932037

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)COCCOc2ccccc2)CC1
InChIInChI=1S/C21H24BrN3O4/c22-17-6-7-19(23-14-17)24-21(27)16-8-10-25(11-9-16)20(26)15-28-12-13-29-18-4-2-1-3-5-18/h1-7,14,16H,8-13,15H2,(H,23,24,27)
InChIKeyLXMRAIGLZZYAOI-UHFFFAOYSA-N
MW462.34 g/mol
LogP3.12
Rot. Bonds8

About N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide (PubChem CID 55932037) has the molecular formula C21H24BrN3O4 and a molecular weight of 462.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
PubChem CID55932037
Molecular FormulaC21H24BrN3O4
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)COCCOc2ccccc2)CC1
InChIInChI=1S/C21H24BrN3O4/c22-17-6-7-19(23-14-17)24-21(27)16-8-10-25(11-9-16)20(26)15-28-12-13-29-18-4-2-1-3-5-18/h1-7,14,16H,8-13,15H2,(H,23,24,27)
InChIKeyLXMRAIGLZZYAOI-UHFFFAOYSA-N
XLogP3.12
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide (CID 55932037) is N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)COCCOc2ccccc2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is LXMRAIGLZZYAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O4/c22-17-6-7-19(23-14-17)24-21(27)16-8-10-25(11-9-16)20(26)15-28-12-13-29-18-4-2-1-3-5-18/h1-7,14,16H,8-13,15H2,(H,23,24,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 462.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55932037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).