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

C15H18BrNO2 — CID 112536855

IUPAC1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrNO2/c1-11(18)13-6-8-17(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,13H,6-10H2,1H3
InChIKeyPWEGYDYHBXGFKF-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.82
Rot. Bonds3

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

1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone (PubChem CID 112536855) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
PubChem CID112536855
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrNO2/c1-11(18)13-6-8-17(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,13H,6-10H2,1H3
InChIKeyPWEGYDYHBXGFKF-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

1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 51942616
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002779
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112747391
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone (CID 112536855) is 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone is CC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The InChIKey is PWEGYDYHBXGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(18)13-6-8-17(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
1-(4-acetylpiperidin-1-yl)-2-(4-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-(4-bromophenyl)ethanone is sourced from PubChem (CID 112536855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).