trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one

C22H25NO3 — CID 57088599

IUPACtrans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one
SMILESO=C1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C22H25NO3/c24-22-15-20(14-21(22)23-10-12-25-13-11-23)26-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20-21H,10-16H2/t20-,21-/m0/s1
InChIKeySUHJGJGLCMUIQN-SFTDATJTSA-N
MW351.45 g/mol
LogP3.30
Rot. Bonds5

About trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one

trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one (PubChem CID 57088599) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one
PubChem CID57088599
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nametrans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one
SMILESO=C1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C22H25NO3/c24-22-15-20(14-21(22)23-10-12-25-13-11-23)26-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20-21H,10-16H2/t20-,21-/m0/s1
InChIKeySUHJGJGLCMUIQN-SFTDATJTSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one?
The IUPAC name of trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one (CID 57088599) is trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one.
What is the SMILES notation for trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one?
The canonical SMILES for trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one is O=C1C[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1.
What is the InChIKey of trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one?
The InChIKey is SUHJGJGLCMUIQN-SFTDATJTSA-N. The full InChI is InChI=1S/C22H25NO3/c24-22-15-20(14-21(22)23-10-12-25-13-11-23)26-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20-21H,10-16H2/t20-,21-/m0/s1.
What are the key properties of trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one?
trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-one is sourced from PubChem (CID 57088599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).