4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide

C13H15BrN2O3 — CID 96505596

IUPAC4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
SMILESCN1C[C@@H](NC(=O)c2ccc(Br)cc2O)CCC1=O
InChIInChI=1S/C13H15BrN2O3/c1-16-7-9(3-5-12(16)18)15-13(19)10-4-2-8(14)6-11(10)17/h2,4,6,9,17H,3,5,7H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeySGPLCIJGVUEERQ-VIFPVBQESA-N
MW327.18 g/mol
LogP1.51
Rot. Bonds2

About 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide

4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide (PubChem CID 96505596) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
PubChem CID96505596
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
SMILESCN1C[C@@H](NC(=O)c2ccc(Br)cc2O)CCC1=O
InChIInChI=1S/C13H15BrN2O3/c1-16-7-9(3-5-12(16)18)15-13(19)10-4-2-8(14)6-11(10)17/h2,4,6,9,17H,3,5,7H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeySGPLCIJGVUEERQ-VIFPVBQESA-N
XLogP1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
2-hydroxy-5-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64668039
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
CID 66187922
4-bromo-2-chloro-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 95287363
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65471077
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 100756034
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide (CID 96505596) is 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide is CN1C[C@@H](NC(=O)c2ccc(Br)cc2O)CCC1=O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The InChIKey is SGPLCIJGVUEERQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-16-7-9(3-5-12(16)18)15-13(19)10-4-2-8(14)6-11(10)17/h2,4,6,9,17H,3,5,7H2,1H3,(H,15,19)/t9-/m0/s1.
What are the key properties of 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide has a molecular weight of 327.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 96505596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).