N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide

C21H25BrN2O3 — CID 15167710

IUPACN-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide
SMILESCOc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
InChIKeySZYKUFQJFLQMPU-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.86
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide

N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide (PubChem CID 15167710) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide
PubChem CID15167710
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide
SMILESCOc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
InChIKeySZYKUFQJFLQMPU-UHFFFAOYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide 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

Flb 457
CID 9907436
5-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dimethoxybenzamide
CID 129497
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
2,3-Dimethoxy-N-(9-(4-fluorobenzyl)-9-azabicyclo(3.3.1)nonan-3-yl)benzamide
CID 23277137
N-(((S)-1-allylpyrrolidin-2-yl)methyl)-5-bromo-2,3-dimethoxybenzamide
CID 14665503
5-Bromo-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dimethoxybenzamide
CID 14665494
5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3-dimethoxy-benzamide
CID 10003936
5-bromo-N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,3-dimethoxybenzamide
CID 23277249
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
(R) 5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-2,3-dimethoxy-benzamide
CID 14880708
5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-2,3-dimethoxy-benzamide (NCQ115)
CID 14880710
(R) N-(1-Benzyl-pyrrolidin-2-ylmethyl)-5-bromo-2,3-dimethoxy-benzamide
CID 14894156

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide (CID 15167710) is N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide is COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide?
The InChIKey is SZYKUFQJFLQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide?
N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide has a molecular weight of 433.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-bromo-2,3-dimethoxybenzamide is sourced from PubChem (CID 15167710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).