[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone

C21H25NO3 — CID 124788856

IUPAC[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)c1
InChIInChI=1S/C21H25NO3/c1-24-19-10-6-9-17(14-19)21(23)22-12-11-20(25-2)18(15-22)13-16-7-4-3-5-8-16/h3-10,14,18,20H,11-13,15H2,1-2H3/t18-,20-/m1/s1
InChIKeyFPYOMTADOGHVJL-UYAOXDASSA-N
MW339.44 g/mol
LogP3.41
Rot. Bonds5

About [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone

[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 124788856) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID124788856
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)c1
InChIInChI=1S/C21H25NO3/c1-24-19-10-6-9-17(14-19)21(23)22-12-11-20(25-2)18(15-22)13-16-7-4-3-5-8-16/h3-10,14,18,20H,11-13,15H2,1-2H3/t18-,20-/m1/s1
InChIKeyFPYOMTADOGHVJL-UYAOXDASSA-N
XLogP3.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone 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

[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
CID 124790949
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124795000
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-benzyl-2-[(3S,4S)-4-(4-chlorophenoxy)-1-(3-methoxybenzoyl)piperidin-3-yl]-N-methylacetamide
CID 110078496
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124796594
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 124790552

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone (CID 124788856) is [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)c1.
What is the InChIKey of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is FPYOMTADOGHVJL-UYAOXDASSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-19-10-6-9-17(14-19)21(23)22-12-11-20(25-2)18(15-22)13-16-7-4-3-5-8-16/h3-10,14,18,20H,11-13,15H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone?
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 124788856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).