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

C18H21NO3 — CID 124790949

IUPAC[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
SMILESCO[C@@H]1CCN(C(=O)c2ccco2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-21-16-9-10-19(18(20)17-8-5-11-22-17)13-15(16)12-14-6-3-2-4-7-14/h2-8,11,15-16H,9-10,12-13H2,1H3/t15-,16-/m1/s1
InChIKeyNZLCGYMRIZFZDL-HZPDHXFCSA-N
MW299.37 g/mol
LogP3.00
Rot. Bonds4

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

[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 124790949) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
PubChem CID124790949
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone
SMILESCO[C@@H]1CCN(C(=O)c2ccco2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-21-16-9-10-19(18(20)17-8-5-11-22-17)13-15(16)12-14-6-3-2-4-7-14/h2-8,11,15-16H,9-10,12-13H2,1H3/t15-,16-/m1/s1
InChIKeyNZLCGYMRIZFZDL-HZPDHXFCSA-N
XLogP3.00
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 124788856
1-[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-2-methylsulfonylethanone
CID 124788434
[(3S,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97422417
methyl 2-[1-(furan-2-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264218
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 124790552
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97422768
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-phenylacetamide
CID 73138876
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone (CID 124790949) is [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone is CO[C@@H]1CCN(C(=O)c2ccco2)C[C@H]1Cc1ccccc1.
What is the InChIKey of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is NZLCGYMRIZFZDL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-9-10-19(18(20)17-8-5-11-22-17)13-15(16)12-14-6-3-2-4-7-14/h2-8,11,15-16H,9-10,12-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone?
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.00, 4 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]-(furan-2-yl)methanone is sourced from PubChem (CID 124790949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).