N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide

C22H27BrN2O2 — CID 15167709

IUPACN-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
SMILESCCc1cc(Br)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H27BrN2O2/c1-3-16-13-19(21(27-2)20(23)14-16)22(26)24-18-9-11-25(12-10-18)15-17-7-5-4-6-8-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,24,26)
InChIKeyNHTFJRAWTIKIJO-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.41
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide

N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide (PubChem CID 15167709) has the molecular formula C22H27BrN2O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
PubChem CID15167709
Molecular FormulaC22H27BrN2O2
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
SMILESCCc1cc(Br)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H27BrN2O2/c1-3-16-13-19(21(27-2)20(23)14-16)22(26)24-18-9-11-25(12-10-18)15-17-7-5-4-6-8-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,24,26)
InChIKeyNHTFJRAWTIKIJO-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide 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-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
CID 15167722
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 101346624
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide (CID 15167709) is N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide is CCc1cc(Br)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide?
The InChIKey is NHTFJRAWTIKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O2/c1-3-16-13-19(21(27-2)20(23)14-16)22(26)24-18-9-11-25(12-10-18)15-17-7-5-4-6-8-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide?
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide has a molecular weight of 431.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide is sourced from PubChem (CID 15167709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).