N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide

C24H22BrN3O3 — CID 55815692

IUPACN-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H22BrN3O3/c25-19-9-10-22(26-16-19)27-23(29)17-11-13-28(14-12-17)24(30)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-10,15-17H,11-14H2,(H,26,27,29)
InChIKeyQPYFETOWJPVLEI-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.13
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide (PubChem CID 55815692) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
PubChem CID55815692
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H22BrN3O3/c25-19-9-10-22(26-16-19)27-23(29)17-11-13-28(14-12-17)24(30)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-10,15-17H,11-14H2,(H,26,27,29)
InChIKeyQPYFETOWJPVLEI-UHFFFAOYSA-N
XLogP5.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55930639
N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
CID 55932037
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 55812829
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
CID 55930750
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide
CID 55932274

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide (CID 55815692) is N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is QPYFETOWJPVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c25-19-9-10-22(26-16-19)27-23(29)17-11-13-28(14-12-17)24(30)18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-10,15-17H,11-14H2,(H,26,27,29).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 480.36 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55815692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).