N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide

C15H20BrN3O2 — CID 103752412

IUPACN-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(2)14(20)18-12-4-7-19(8-5-12)15(21)11-3-6-17-13(16)9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyLHBDWJXLJMLFJU-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.22
Rot. Bonds3

About N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 103752412) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID103752412
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(2)14(20)18-12-4-7-19(8-5-12)15(21)11-3-6-17-13(16)9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,18,20)
InChIKeyLHBDWJXLJMLFJU-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 103754705
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
2-methyl-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876957
(2-bromo-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 103754939
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide (CID 103752412) is N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)c2ccnc(Br)c2)CC1.
What is the InChIKey of N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is LHBDWJXLJMLFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10(2)14(20)18-12-4-7-19(8-5-12)15(21)11-3-6-17-13(16)9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 354.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 103752412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).