[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone

C17H23NO2 — CID 129354509

IUPAC[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCCC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H23NO2/c19-17(16-9-11-20-13-16)18-10-5-4-8-15(12-18)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2/t15-,16-/m0/s1
InChIKeyZWKZEYSWRSASIL-HOTGVXAUSA-N
MW273.38 g/mol
LogP2.82
Rot. Bonds2

About [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone

[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone (PubChem CID 129354509) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
PubChem CID129354509
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCCC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H23NO2/c19-17(16-9-11-20-13-16)18-10-5-4-8-15(12-18)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2/t15-,16-/m0/s1
InChIKeyZWKZEYSWRSASIL-HOTGVXAUSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(oxan-4-yl)methanone
CID 99876618
(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 129355029
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 122139809
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608525
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone (CID 129354509) is [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone is O=C([C@H]1CCOC1)N1CCCC[C@H](c2ccccc2)C1.
What is the InChIKey of [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone?
The InChIKey is ZWKZEYSWRSASIL-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(16-9-11-20-13-16)18-10-5-4-8-15(12-18)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2/t15-,16-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone?
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone is sourced from PubChem (CID 129354509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).