[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C21H26N2O3 — CID 97422474

IUPAC[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccc(C)nc3)CC[C@H]2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-15-4-7-17(13-22-15)21(24)23-11-10-20(26-3)18(14-23)12-16-5-8-19(25-2)9-6-16/h4-9,13,18,20H,10-12,14H2,1-3H3/t18-,20+/m0/s1
InChIKeyFVNIOPFHXFNUBC-AZUAARDMSA-N
MW354.45 g/mol
LogP3.12
Rot. Bonds5

About [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97422474) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97422474
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccc(C)nc3)CC[C@H]2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-15-4-7-17(13-22-15)21(24)23-11-10-20(26-3)18(14-23)12-16-5-8-19(25-2)9-6-16/h4-9,13,18,20H,10-12,14H2,1-3H3/t18-,20+/m0/s1
InChIKeyFVNIOPFHXFNUBC-AZUAARDMSA-N
XLogP3.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[(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)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97423391
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 97422813
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124796594
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 124788856
1-[(4-methoxyphenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]urea
CID 166834877
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124795000
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 97422474) is [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccc(C[C@H]2CN(C(=O)c3ccc(C)nc3)CC[C@H]2OC)cc1.
What is the InChIKey of [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is FVNIOPFHXFNUBC-AZUAARDMSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-4-7-17(13-22-15)21(24)23-11-10-20(26-3)18(14-23)12-16-5-8-19(25-2)9-6-16/h4-9,13,18,20H,10-12,14H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97422474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).