(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one

C15H19NO2 — CID 71479670

IUPAC(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1C[C@H](OCc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO2/c1-2-10-16-11-14(8-9-15(16)17)18-12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2/t14-/m1/s1
InChIKeyDIKQIYALUMWUOT-CQSZACIVSA-N
MW245.32 g/mol
LogP2.38
Rot. Bonds5

About (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one

(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one (PubChem CID 71479670) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one
PubChem CID71479670
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1C[C@H](OCc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO2/c1-2-10-16-11-14(8-9-15(16)17)18-12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2/t14-/m1/s1
InChIKeyDIKQIYALUMWUOT-CQSZACIVSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
The IUPAC name of (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one (CID 71479670) is (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one is C=CCN1C[C@H](OCc2ccccc2)CCC1=O.
What is the InChIKey of (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
The InChIKey is DIKQIYALUMWUOT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-10-16-11-14(8-9-15(16)17)18-12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2/t14-/m1/s1.
What are the key properties of (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
(5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenylmethoxy-1-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 71479670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).