N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide

C23H27BrN2O3 — CID 68849773

IUPACN-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H27BrN2O3/c1-16(17(2)25-21(27)18-6-4-3-5-7-18)22(28)26-14-12-23(29,13-15-26)19-8-10-20(24)11-9-19/h3-11,16-17,29H,12-15H2,1-2H3,(H,25,27)
InChIKeyWQVINUNYRKGOJB-UHFFFAOYSA-N
MW459.38 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide

N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide (PubChem CID 68849773) has the molecular formula C23H27BrN2O3 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
PubChem CID68849773
Molecular FormulaC23H27BrN2O3
Molecular Weight459.38 g/mol
Exact Mass458.12
IUPAC NameN-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H27BrN2O3/c1-16(17(2)25-21(27)18-6-4-3-5-7-18)22(28)26-14-12-23(29,13-15-26)19-8-10-20(24)11-9-19/h3-11,16-17,29H,12-15H2,1-2H3,(H,25,27)
InChIKeyWQVINUNYRKGOJB-UHFFFAOYSA-N
XLogP3.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-bromophenyl)piperazin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 69293076
N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
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N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
1-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-2,2-diphenylethanone
CID 143894081
N-[(Z)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 155011691
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
3-(benzoylsulfamoyl)-N-[(3R)-4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68848592
N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 22448009
3-acetyl-N-[(3R)-4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68848676
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
4-bromo-N-(3-chlorobutan-2-yl)benzamide
CID 131162953
1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 25132744

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide (CID 68849773) is N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
The InChIKey is WQVINUNYRKGOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O3/c1-16(17(2)25-21(27)18-6-4-3-5-7-18)22(28)26-14-12-23(29,13-15-26)19-8-10-20(24)11-9-19/h3-11,16-17,29H,12-15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide has a molecular weight of 459.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 68849773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).