2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C16H21BrN2O2 — CID 112991009

IUPAC2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC1CCN(C(=O)CNC(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C16H21BrN2O2/c1-12-6-8-19(9-7-12)16(21)11-18-15(20)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3,(H,18,20)
InChIKeyCBWPLVVUUZNRSP-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.37
Rot. Bonds4

About 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 112991009) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID112991009
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC1CCN(C(=O)CNC(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C16H21BrN2O2/c1-12-6-8-19(9-7-12)16(21)11-18-15(20)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3,(H,18,20)
InChIKeyCBWPLVVUUZNRSP-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119519046
2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 114680413
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
CID 86813788
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 112991009) is 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is CC1CCN(C(=O)CNC(=O)Cc2ccccc2Br)CC1.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is CBWPLVVUUZNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-12-6-8-19(9-7-12)16(21)11-18-15(20)10-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 353.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 112991009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).