3-benzyl-3-ethyl-1-methylpiperidin-2-one

C15H21NO — CID 23448180

IUPAC3-benzyl-3-ethyl-1-methylpiperidin-2-one
SMILESCCC1(Cc2ccccc2)CCCN(C)C1=O
InChIInChI=1S/C15H21NO/c1-3-15(10-7-11-16(2)14(15)17)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeySVYBQQGIPWNVIT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds3

About 3-benzyl-3-ethyl-1-methylpiperidin-2-one

3-benzyl-3-ethyl-1-methylpiperidin-2-one (PubChem CID 23448180) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-benzyl-3-ethyl-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-benzyl-3-ethyl-1-methylpiperidin-2-one
PubChem CID23448180
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-benzyl-3-ethyl-1-methylpiperidin-2-one
SMILESCCC1(Cc2ccccc2)CCCN(C)C1=O
InChIInChI=1S/C15H21NO/c1-3-15(10-7-11-16(2)14(15)17)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeySVYBQQGIPWNVIT-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-ethyl-1-methylpiperidin-2-one?
The IUPAC name of 3-benzyl-3-ethyl-1-methylpiperidin-2-one (CID 23448180) is 3-benzyl-3-ethyl-1-methylpiperidin-2-one.
What is the SMILES notation for 3-benzyl-3-ethyl-1-methylpiperidin-2-one?
The canonical SMILES for 3-benzyl-3-ethyl-1-methylpiperidin-2-one is CCC1(Cc2ccccc2)CCCN(C)C1=O.
What is the InChIKey of 3-benzyl-3-ethyl-1-methylpiperidin-2-one?
The InChIKey is SVYBQQGIPWNVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-15(10-7-11-16(2)14(15)17)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of 3-benzyl-3-ethyl-1-methylpiperidin-2-one?
3-benzyl-3-ethyl-1-methylpiperidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-ethyl-1-methylpiperidin-2-one is sourced from PubChem (CID 23448180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).