1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone

C15H18BrNO2 — CID 112536864

IUPAC1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C15H18BrNO2/c1-11(18)12-6-8-17(9-7-12)15(19)10-13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3
InChIKeyJRJLRUKINKEEGQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone

1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone (PubChem CID 112536864) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
PubChem CID112536864
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C15H18BrNO2/c1-11(18)12-6-8-17(9-7-12)15(19)10-13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3
InChIKeyJRJLRUKINKEEGQ-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 78787606
2-[[(4S)-1-[2-(2-bromophenyl)acetyl]azepan-4-yl]-methylamino]acetic acid
CID 129399167
2-[[(4R)-1-[2-(2-bromophenyl)acetyl]azepan-4-yl]-methylamino]acetic acid
CID 129399166
2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 112536344
2-(2-bromophenyl)-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethanone
CID 134161334
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
methyl 1-[2-(2-bromophenyl)acetyl]-3-oxopiperidine-4-carboxylate
CID 112535846

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone (CID 112536864) is 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone is CC(=O)C1CCN(C(=O)Cc2ccccc2Br)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone?
The InChIKey is JRJLRUKINKEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(18)12-6-8-17(9-7-12)15(19)10-13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone?
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone has a molecular weight of 324.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone is sourced from PubChem (CID 112536864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).