6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one

C19H27NO2 — CID 58732884

IUPAC6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1C(=O)C(OCc2ccccc2)C(C)C(C)C1CC
InChIInChI=1S/C19H27NO2/c1-5-12-20-17(6-2)14(3)15(4)18(19(20)21)22-13-16-10-8-7-9-11-16/h5,7-11,14-15,17-18H,1,6,12-13H2,2-4H3
InChIKeyLRYDFTULRPRARE-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.65
Rot. Bonds6

About 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one

6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one (PubChem CID 58732884) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one
PubChem CID58732884
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1C(=O)C(OCc2ccccc2)C(C)C(C)C1CC
InChIInChI=1S/C19H27NO2/c1-5-12-20-17(6-2)14(3)15(4)18(19(20)21)22-13-16-10-8-7-9-11-16/h5,7-11,14-15,17-18H,1,6,12-13H2,2-4H3
InChIKeyLRYDFTULRPRARE-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.65
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 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
The IUPAC name of 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one (CID 58732884) is 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
The canonical SMILES for 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one is C=CCN1C(=O)C(OCc2ccccc2)C(C)C(C)C1CC.
What is the InChIKey of 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
The InChIKey is LRYDFTULRPRARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-5-12-20-17(6-2)14(3)15(4)18(19(20)21)22-13-16-10-8-7-9-11-16/h5,7-11,14-15,17-18H,1,6,12-13H2,2-4H3.
What are the key properties of 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one?
6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,5-dimethyl-3-phenylmethoxy-1-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 58732884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).