N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

C17H23BrN2O2 — CID 108959216

IUPACN-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCN(C(=O)C(C)(C)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN2O2/c1-12-8-10-20(11-9-12)16(22)17(2,3)15(21)19-14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyOIXMSPUXOSXFHK-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.67
Rot. Bonds3

About N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108959216) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108959216
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCN(C(=O)C(C)(C)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN2O2/c1-12-8-10-20(11-9-12)16(22)17(2,3)15(21)19-14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyOIXMSPUXOSXFHK-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide 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

N-(4-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959202
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959255
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
N-(2-chlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959205
N-(2-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959201
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966789
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959269
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959210
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (CID 108959216) is N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCN(C(=O)C(C)(C)C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is OIXMSPUXOSXFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-12-8-10-20(11-9-12)16(22)17(2,3)15(21)19-14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 367.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108959216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).