1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone

C20H24N2O3 — CID 124788610

IUPAC1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@H](Oc2cccnc2)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O3/c1-24-15-20(23)22-11-9-19(25-18-8-5-10-21-13-18)17(14-22)12-16-6-3-2-4-7-16/h2-8,10,13,17,19H,9,11-12,14-15H2,1H3/t17-,19+/m1/s1
InChIKeyDDPVAVHHQUGIMR-MJGOQNOKSA-N
MW340.42 g/mol
LogP2.57
Rot. Bonds6

About 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone

1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone (PubChem CID 124788610) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone
PubChem CID124788610
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@H](Oc2cccnc2)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O3/c1-24-15-20(23)22-11-9-19(25-18-8-5-10-21-13-18)17(14-22)12-16-6-3-2-4-7-16/h2-8,10,13,17,19H,9,11-12,14-15H2,1H3/t17-,19+/m1/s1
InChIKeyDDPVAVHHQUGIMR-MJGOQNOKSA-N
XLogP2.57
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[(3R,4R)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone
CID 124788609
1-[(3S,4R)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
CID 155825888
1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-3-methoxypropan-1-one
CID 124798783
1-[(3S,4S)-3-benzyl-4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-methoxyethanone
CID 97484857
1-[(3S,4S)-3-benzyl-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-2-methoxyethanone
CID 97475456
1-[(3S,4S)-3-benzyl-4-(pyridin-2-ylmethoxy)piperidin-1-yl]-2-methoxyethanone
CID 97476137
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124793902
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-2-methylsulfonylethanone
CID 124788434
1-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-phenoxyethanone
CID 110131214
[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97422517

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone (CID 124788610) is 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CC[C@H](Oc2cccnc2)[C@H](Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone?
The InChIKey is DDPVAVHHQUGIMR-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-15-20(23)22-11-9-19(25-18-8-5-10-21-13-18)17(14-22)12-16-6-3-2-4-7-16/h2-8,10,13,17,19H,9,11-12,14-15H2,1H3/t17-,19+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone?
1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone has a molecular weight of 340.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 124788610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).