6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one

C18H26N2O2 — CID 129073794

IUPAC6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one
SMILESCCN1CC(C2CCN(Cc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C18H26N2O2/c1-2-20-13-17(22-14-18(20)21)16-8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3
InChIKeySFINQBUJIMKKQY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds4

About 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one

6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one (PubChem CID 129073794) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one.

Molecular Properties

Compound Name6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one
PubChem CID129073794
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one
SMILESCCN1CC(C2CCN(Cc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C18H26N2O2/c1-2-20-13-17(22-14-18(20)21)16-8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3
InChIKeySFINQBUJIMKKQY-UHFFFAOYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one?
The IUPAC name of 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one (CID 129073794) is 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one.
What is the SMILES notation for 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one?
The canonical SMILES for 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one is CCN1CC(C2CCN(Cc3ccccc3)CC2)OCC1=O.
What is the InChIKey of 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one?
The InChIKey is SFINQBUJIMKKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-20-13-17(22-14-18(20)21)16-8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3.
What are the key properties of 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one?
6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpiperidin-4-yl)-4-ethylmorpholin-3-one is sourced from PubChem (CID 129073794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).