1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one

C20H27NO2 — CID 146616344

IUPAC1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one
SMILESC=CCOCC1(CC=C)CCCN([C@H](C)c2ccccc2)C1=O
InChIInChI=1S/C20H27NO2/c1-4-12-20(16-23-15-5-2)13-9-14-21(19(20)22)17(3)18-10-7-6-8-11-18/h4-8,10-11,17H,1-2,9,12-16H2,3H3/t17-,20?/m1/s1
InChIKeyVAZGBMCRYGRIBJ-DIAVIDTQSA-N
MW313.44 g/mol
LogP4.14
Rot. Bonds8

About 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one

1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one (PubChem CID 146616344) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one
PubChem CID146616344
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one
SMILESC=CCOCC1(CC=C)CCCN([C@H](C)c2ccccc2)C1=O
InChIInChI=1S/C20H27NO2/c1-4-12-20(16-23-15-5-2)13-9-14-21(19(20)22)17(3)18-10-7-6-8-11-18/h4-8,10-11,17H,1-2,9,12-16H2,3H3/t17-,20?/m1/s1
InChIKeyVAZGBMCRYGRIBJ-DIAVIDTQSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one (CID 146616344) is 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one is C=CCOCC1(CC=C)CCCN([C@H](C)c2ccccc2)C1=O.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one?
The InChIKey is VAZGBMCRYGRIBJ-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-12-20(16-23-15-5-2)13-9-14-21(19(20)22)17(3)18-10-7-6-8-11-18/h4-8,10-11,17H,1-2,9,12-16H2,3H3/t17-,20?/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one?
1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one has a molecular weight of 313.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 146616344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).