(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one

C18H25NO2 — CID 16724807

IUPAC(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@]1(CC)CCCN([C@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C18H25NO2/c1-3-11-18(4-2)12-8-13-19(17(18)21)16(14-20)15-9-6-5-7-10-15/h3,5-7,9-10,16,20H,1,4,8,11-14H2,2H3/t16-,18+/m1/s1
InChIKeyUDSRKKZUIOIYMJ-AEFFLSMTSA-N
MW287.40 g/mol
LogP3.31
Rot. Bonds6

About (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one

(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one (PubChem CID 16724807) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one
PubChem CID16724807
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@]1(CC)CCCN([C@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C18H25NO2/c1-3-11-18(4-2)12-8-13-19(17(18)21)16(14-20)15-9-6-5-7-10-15/h3,5-7,9-10,16,20H,1,4,8,11-14H2,2H3/t16-,18+/m1/s1
InChIKeyUDSRKKZUIOIYMJ-AEFFLSMTSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one (CID 16724807) is (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one is C=CC[C@@]1(CC)CCCN([C@H](CO)c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one?
The InChIKey is UDSRKKZUIOIYMJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-11-18(4-2)12-8-13-19(17(18)21)16(14-20)15-9-6-5-7-10-15/h3,5-7,9-10,16,20H,1,4,8,11-14H2,2H3/t16-,18+/m1/s1.
What are the key properties of (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one?
(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 16724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).