N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide

C18H15BrClF2N3O2 — CID 55930750

IUPACN-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1
InChIInChI=1S/C18H15BrClF2N3O2/c19-11-1-2-16(23-9-11)24-17(26)10-3-5-25(6-4-10)18(27)12-7-14(21)15(22)8-13(12)20/h1-2,7-10H,3-6H2,(H,23,24,26)
InChIKeyHEFGRRCGLLSBCD-UHFFFAOYSA-N
MW458.69 g/mol
LogP4.27
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 55930750) has the molecular formula C18H15BrClF2N3O2 and a molecular weight of 458.69 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID55930750
Molecular FormulaC18H15BrClF2N3O2
Molecular Weight458.69 g/mol
Exact Mass457.00
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1
InChIInChI=1S/C18H15BrClF2N3O2/c19-11-1-2-16(23-9-11)24-17(26)10-3-5-25(6-4-10)18(27)12-7-14(21)15(22)8-13(12)20/h1-2,7-10H,3-6H2,(H,23,24,26)
InChIKeyHEFGRRCGLLSBCD-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.69
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
CID 2294764
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
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
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
N-(5-bromo-2-pyridinyl)-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 55818359
N-(5-bromo-2-pyridinyl)-1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 98930954
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide (CID 55930750) is N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is HEFGRRCGLLSBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClF2N3O2/c19-11-1-2-16(23-9-11)24-17(26)10-3-5-25(6-4-10)18(27)12-7-14(21)15(22)8-13(12)20/h1-2,7-10H,3-6H2,(H,23,24,26).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 458.69 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55930750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).