[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone

C22H26N2O2 — CID 57396216

IUPAC[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(21-15-23-14-20(21)18-9-5-2-6-10-18)24-11-12-26-16-19(24)13-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2/t19-,20+,21-/m1/s1
InChIKeyXYNUWIKQRZQEBQ-QHAWAJNXSA-N
MW350.46 g/mol
LogP2.46
Rot. Bonds4

About [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone

[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone (PubChem CID 57396216) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone
PubChem CID57396216
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(21-15-23-14-20(21)18-9-5-2-6-10-18)24-11-12-26-16-19(24)13-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2/t19-,20+,21-/m1/s1
InChIKeyXYNUWIKQRZQEBQ-QHAWAJNXSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone?
The IUPAC name of [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone (CID 57396216) is [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone.
What is the SMILES notation for [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone?
The canonical SMILES for [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone is O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1.
What is the InChIKey of [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone?
The InChIKey is XYNUWIKQRZQEBQ-QHAWAJNXSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(21-15-23-14-20(21)18-9-5-2-6-10-18)24-11-12-26-16-19(24)13-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2/t19-,20+,21-/m1/s1.
What are the key properties of [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone?
[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 57396216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).