1-benzyl-4-ethyl-6-phenylpiperidin-3-one

C20H23NO — CID 170718651

IUPAC1-benzyl-4-ethyl-6-phenylpiperidin-3-one
SMILESCCC1CC(c2ccccc2)N(Cc2ccccc2)CC1=O
InChIInChI=1S/C20H23NO/c1-2-17-13-19(18-11-7-4-8-12-18)21(15-20(17)22)14-16-9-5-3-6-10-16/h3-12,17,19H,2,13-15H2,1H3
InChIKeyHXPJXIAOOQVKKB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds4

About 1-benzyl-4-ethyl-6-phenylpiperidin-3-one

1-benzyl-4-ethyl-6-phenylpiperidin-3-one (PubChem CID 170718651) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-benzyl-4-ethyl-6-phenylpiperidin-3-one.

Molecular Properties

Compound Name1-benzyl-4-ethyl-6-phenylpiperidin-3-one
PubChem CID170718651
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-benzyl-4-ethyl-6-phenylpiperidin-3-one
SMILESCCC1CC(c2ccccc2)N(Cc2ccccc2)CC1=O
InChIInChI=1S/C20H23NO/c1-2-17-13-19(18-11-7-4-8-12-18)21(15-20(17)22)14-16-9-5-3-6-10-16/h3-12,17,19H,2,13-15H2,1H3
InChIKeyHXPJXIAOOQVKKB-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethyl-6-phenylpiperidin-3-one?
The IUPAC name of 1-benzyl-4-ethyl-6-phenylpiperidin-3-one (CID 170718651) is 1-benzyl-4-ethyl-6-phenylpiperidin-3-one.
What is the SMILES notation for 1-benzyl-4-ethyl-6-phenylpiperidin-3-one?
The canonical SMILES for 1-benzyl-4-ethyl-6-phenylpiperidin-3-one is CCC1CC(c2ccccc2)N(Cc2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-4-ethyl-6-phenylpiperidin-3-one?
The InChIKey is HXPJXIAOOQVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-17-13-19(18-11-7-4-8-12-18)21(15-20(17)22)14-16-9-5-3-6-10-16/h3-12,17,19H,2,13-15H2,1H3.
What are the key properties of 1-benzyl-4-ethyl-6-phenylpiperidin-3-one?
1-benzyl-4-ethyl-6-phenylpiperidin-3-one has a molecular weight of 293.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethyl-6-phenylpiperidin-3-one is sourced from PubChem (CID 170718651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).