N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide

C17H25BrN2O — CID 83034269

IUPACN-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C17H25BrN2O/c1-17(2,14-5-4-10-19-11-14)16(21)20(3)12-13-6-8-15(18)9-7-13/h6-9,14,19H,4-5,10-12H2,1-3H3
InChIKeyFQMZWCFHXASLMI-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide

N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide (PubChem CID 83034269) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide
PubChem CID83034269
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C17H25BrN2O/c1-17(2,14-5-4-10-19-11-14)16(21)20(3)12-13-6-8-15(18)9-7-13/h6-9,14,19H,4-5,10-12H2,1-3H3
InChIKeyFQMZWCFHXASLMI-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide 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-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
N,2-dimethyl-2-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83199189
N-ethyl-2-methyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83198421
N-(2-hydroxy-3-methoxypropyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83200036
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031069
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200389
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
1-(3-bromo-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611174
N-ethyl-2-methyl-N-(3-methylphenyl)-2-piperidin-3-ylpropanamide
CID 83198721

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide (CID 83034269) is N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide is CN(Cc1ccc(Br)cc1)C(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide?
The InChIKey is FQMZWCFHXASLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-17(2,14-5-4-10-19-11-14)16(21)20(3)12-13-6-8-15(18)9-7-13/h6-9,14,19H,4-5,10-12H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide?
N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide has a molecular weight of 353.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83034269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).