1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone

C20H24N2O3 — CID 164634414

IUPAC1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone
SMILESCCOc1cccc(CC(=O)N2C[C@H](Cc3ccccc3)[C@@H](O)C2)n1
InChIInChI=1S/C20H24N2O3/c1-2-25-19-10-6-9-17(21-19)12-20(24)22-13-16(18(23)14-22)11-15-7-4-3-5-8-15/h3-10,16,18,23H,2,11-14H2,1H3/t16-,18-/m0/s1
InChIKeyQFLCPXBFTWKPND-WMZOPIPTSA-N
MW340.42 g/mol
LogP2.08
Rot. Bonds6

About 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone

1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone (PubChem CID 164634414) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone
PubChem CID164634414
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone
SMILESCCOc1cccc(CC(=O)N2C[C@H](Cc3ccccc3)[C@@H](O)C2)n1
InChIInChI=1S/C20H24N2O3/c1-2-25-19-10-6-9-17(21-19)12-20(24)22-13-16(18(23)14-22)11-15-7-4-3-5-8-15/h3-10,16,18,23H,2,11-14H2,1H3/t16-,18-/m0/s1
InChIKeyQFLCPXBFTWKPND-WMZOPIPTSA-N
XLogP2.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone (CID 164634414) is 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone is CCOc1cccc(CC(=O)N2C[C@H](Cc3ccccc3)[C@@H](O)C2)n1.
What is the InChIKey of 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone?
The InChIKey is QFLCPXBFTWKPND-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-19-10-6-9-17(21-19)12-20(24)22-13-16(18(23)14-22)11-15-7-4-3-5-8-15/h3-10,16,18,23H,2,11-14H2,1H3/t16-,18-/m0/s1.
What are the key properties of 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone?
1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 164634414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).