(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one

C15H19NO — CID 157327222

IUPAC(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-2-6-13-9-10-15(17)16(11-13)12-14-7-4-3-5-8-14/h2-5,7-8,13H,1,6,9-12H2/t13-/m1/s1
InChIKeySHZLWJBNMYAZAB-CYBMUJFWSA-N
MW229.32 g/mol
LogP3.00
Rot. Bonds4

About (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one

(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one (PubChem CID 157327222) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
PubChem CID157327222
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-2-6-13-9-10-15(17)16(11-13)12-14-7-4-3-5-8-14/h2-5,7-8,13H,1,6,9-12H2/t13-/m1/s1
InChIKeySHZLWJBNMYAZAB-CYBMUJFWSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one (CID 157327222) is (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one is C=CC[C@@H]1CCC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one?
The InChIKey is SHZLWJBNMYAZAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-13-9-10-15(17)16(11-13)12-14-7-4-3-5-8-14/h2-5,7-8,13H,1,6,9-12H2/t13-/m1/s1.
What are the key properties of (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one?
(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 157327222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).