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

C21H25IN2O3 — CID 15167711

IUPACN-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
SMILESCOc1cc(I)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C21H25IN2O3/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)
InChIKeySJQBOYNFPPKBRB-UHFFFAOYSA-N
MW480.35 g/mol
LogP3.70
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide (PubChem CID 15167711) has the molecular formula C21H25IN2O3 and a molecular weight of 480.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
PubChem CID15167711
Molecular FormulaC21H25IN2O3
Molecular Weight480.35 g/mol
Exact Mass480.09
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
SMILESCOc1cc(I)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C21H25IN2O3/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)
InChIKeySJQBOYNFPPKBRB-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(1-benzylpiperidin-4-yl)-5-iodo-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

N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
CID 15167722
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropanecarbonylamino)-5-iodo-2-methoxybenzamide
CID 70269256

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide (CID 15167711) is N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide is COc1cc(I)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide?
The InChIKey is SJQBOYNFPPKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25IN2O3/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-iodo-2,3-dimethoxybenzamide?
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide has a molecular weight of 480.35 g/mol, XLogP of 3.70, 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-iodo-2,3-dimethoxybenzamide is sourced from PubChem (CID 15167711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).