N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide

C26H25BrN2O3 — CID 22448009

IUPACN-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(c2ccc(Br)cc2)CC1)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25BrN2O3/c27-22-10-8-21(9-11-22)26(32)14-16-29(17-15-26)18-24(30)28-23-12-6-20(7-13-23)25(31)19-4-2-1-3-5-19/h1-13,32H,14-18H2,(H,28,30)
InChIKeyNNHYSTLUYHXQCU-UHFFFAOYSA-N
MW493.40 g/mol
LogP4.60
Rot. Bonds6

About N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide

N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide (PubChem CID 22448009) has the molecular formula C26H25BrN2O3 and a molecular weight of 493.40 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide
PubChem CID22448009
Molecular FormulaC26H25BrN2O3
Molecular Weight493.40 g/mol
Exact Mass492.10
IUPAC NameN-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(c2ccc(Br)cc2)CC1)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H25BrN2O3/c27-22-10-8-21(9-11-22)26(32)14-16-29(17-15-26)18-24(30)28-23-12-6-20(7-13-23)25(31)19-4-2-1-3-5-19/h1-13,32H,14-18H2,(H,28,30)
InChIKeyNNHYSTLUYHXQCU-UHFFFAOYSA-N
XLogP4.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 22448043
2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide
CID 91178141
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 22458822
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 166605999
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-[4-(4-benzylphenyl)-4-hydroxypiperidin-1-yl]-N-(1-methylcyclopropyl)acetamide
CID 23383909

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide (CID 22448009) is N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide is O=C(CN1CCC(O)(c2ccc(Br)cc2)CC1)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide?
The InChIKey is NNHYSTLUYHXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2O3/c27-22-10-8-21(9-11-22)26(32)14-16-29(17-15-26)18-24(30)28-23-12-6-20(7-13-23)25(31)19-4-2-1-3-5-19/h1-13,32H,14-18H2,(H,28,30).
What are the key properties of N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide?
N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide has a molecular weight of 493.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 22448009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).