(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one

C15H19NO — CID 102262811

IUPAC(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-7-14-10-6-11-15(17)16(14)12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2/t14-/m0/s1
InChIKeyQDOXIHKKQJDVMI-AWEZNQCLSA-N
MW229.32 g/mol
LogP3.14
Rot. Bonds4

About (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one

(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one (PubChem CID 102262811) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
PubChem CID102262811
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-7-14-10-6-11-15(17)16(14)12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2/t14-/m0/s1
InChIKeyQDOXIHKKQJDVMI-AWEZNQCLSA-N
XLogP3.14
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 ≤ 53.14
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 (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one?
The IUPAC name of (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one (CID 102262811) is (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one is C=CC[C@H]1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one?
The InChIKey is QDOXIHKKQJDVMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-7-14-10-6-11-15(17)16(14)12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2/t14-/m0/s1.
What are the key properties of (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one?
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 102262811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).