1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one

C16H19NO3 — CID 126833195

IUPAC1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one
SMILESO=C1CCN(C(=O)[C@H]2CCCO2)C(c2ccccc2)C1
InChIInChI=1S/C16H19NO3/c18-13-8-9-17(16(19)15-7-4-10-20-15)14(11-13)12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2/t14?,15-/m1/s1
InChIKeyGOLFONHSODPMBE-YSSOQSIOSA-N
MW273.33 g/mol
LogP2.10
Rot. Bonds2

About 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one

1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one (PubChem CID 126833195) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one
PubChem CID126833195
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one
SMILESO=C1CCN(C(=O)[C@H]2CCCO2)C(c2ccccc2)C1
InChIInChI=1S/C16H19NO3/c18-13-8-9-17(16(19)15-7-4-10-20-15)14(11-13)12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2/t14?,15-/m1/s1
InChIKeyGOLFONHSODPMBE-YSSOQSIOSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110728429
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one
CID 164640611
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
CID 110289151
(3R)-2-[(2S)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 30057206
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104855601
[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 163401937
[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-oxan-2-yl]methanone
CID 99822674
1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 119736164

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one?
The IUPAC name of 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one (CID 126833195) is 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one.
What is the SMILES notation for 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one?
The canonical SMILES for 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one is O=C1CCN(C(=O)[C@H]2CCCO2)C(c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one?
The InChIKey is GOLFONHSODPMBE-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H19NO3/c18-13-8-9-17(16(19)15-7-4-10-20-15)14(11-13)12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2/t14?,15-/m1/s1.
What are the key properties of 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one?
1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one is sourced from PubChem (CID 126833195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).