N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide

C21H23BrClN3O2 — CID 55992804

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
SMILESCC(C)(C(=O)N1CCCC(C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23BrClN3O2/c1-21(2,15-5-8-17(23)9-6-15)20(28)26-11-3-4-14(13-26)19(27)25-18-10-7-16(22)12-24-18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,27)
InChIKeyBJFWXGUILZNHTD-UHFFFAOYSA-N
MW464.79 g/mol
LogP4.65
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide (PubChem CID 55992804) has the molecular formula C21H23BrClN3O2 and a molecular weight of 464.79 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
PubChem CID55992804
Molecular FormulaC21H23BrClN3O2
Molecular Weight464.79 g/mol
Exact Mass463.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
SMILESCC(C)(C(=O)N1CCCC(C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23BrClN3O2/c1-21(2,15-5-8-17(23)9-6-15)20(28)26-11-3-4-14(13-26)19(27)25-18-10-7-16(22)12-24-18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,27)
InChIKeyBJFWXGUILZNHTD-UHFFFAOYSA-N
XLogP4.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
N-(5-bromo-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]piperidine-3-carboxamide
CID 55993827
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931134
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide (CID 55992804) is N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide is CC(C)(C(=O)N1CCCC(C(=O)Nc2ccc(Br)cn2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The InChIKey is BJFWXGUILZNHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrClN3O2/c1-21(2,15-5-8-17(23)9-6-15)20(28)26-11-3-4-14(13-26)19(27)25-18-10-7-16(22)12-24-18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide has a molecular weight of 464.79 g/mol, XLogP of 4.65, 4 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-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55992804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).