[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone

C20H25NO3S — CID 124790552

IUPAC[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
SMILESCCOc1ccsc1C(=O)N1CC[C@@H](OC)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H25NO3S/c1-3-24-18-10-12-25-19(18)20(22)21-11-9-17(23-2)16(14-21)13-15-7-5-4-6-8-15/h4-8,10,12,16-17H,3,9,11,13-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyMKIMXPOBPPAZFQ-IAGOWNOFSA-N
MW359.49 g/mol
LogP3.87
Rot. Bonds6

About [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone

[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone (PubChem CID 124790552) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
PubChem CID124790552
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
SMILESCCOc1ccsc1C(=O)N1CC[C@@H](OC)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H25NO3S/c1-3-24-18-10-12-25-19(18)20(22)21-11-9-17(23-2)16(14-21)13-15-7-5-4-6-8-15/h4-8,10,12,16-17H,3,9,11,13-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyMKIMXPOBPPAZFQ-IAGOWNOFSA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
CID 124790949
[(3S,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97422417
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 124788856
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124796594
1-[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-2-methylsulfonylethanone
CID 124788434
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 97422813
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone?
The IUPAC name of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone (CID 124790552) is [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone?
The canonical SMILES for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone is CCOc1ccsc1C(=O)N1CC[C@@H](OC)[C@H](Cc2ccccc2)C1.
What is the InChIKey of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone?
The InChIKey is MKIMXPOBPPAZFQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-24-18-10-12-25-19(18)20(22)21-11-9-17(23-2)16(14-21)13-15-7-5-4-6-8-15/h4-8,10,12,16-17H,3,9,11,13-14H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone?
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone has a molecular weight of 359.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone is sourced from PubChem (CID 124790552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).