5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide

C15H21BrN2O3 — CID 661226

IUPAC5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C15H21BrN2O3/c1-14(2)6-10(7-15(3,4)18-14)17-12(19)9-5-11(16)13(20)21-8-9/h5,8,10,18H,6-7H2,1-4H3,(H,17,19)
InChIKeyMTIWZONHYYTCFT-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.44
Rot. Bonds2

About 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide

5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide (PubChem CID 661226) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide
PubChem CID661226
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C15H21BrN2O3/c1-14(2)6-10(7-15(3,4)18-14)17-12(19)9-5-11(16)13(20)21-8-9/h5,8,10,18H,6-7H2,1-4H3,(H,17,19)
InChIKeyMTIWZONHYYTCFT-UHFFFAOYSA-N
XLogP2.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
5-hydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
CID 63859431
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450
2,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166350427
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1,3-dicarboxamide
CID 162717936
4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
CID 67679317
5-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 5167039
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide?
The IUPAC name of 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide (CID 661226) is 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide.
What is the SMILES notation for 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide?
The canonical SMILES for 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide is CC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)N1.
What is the InChIKey of 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide?
The InChIKey is MTIWZONHYYTCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-14(2)6-10(7-15(3,4)18-14)17-12(19)9-5-11(16)13(20)21-8-9/h5,8,10,18H,6-7H2,1-4H3,(H,17,19).
What are the key properties of 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide?
5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide is sourced from PubChem (CID 661226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).