4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one

C14H24N2O2 — CID 115067752

IUPAC4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one
SMILESCC1(C2CCNCC2)CN(C2CCC2)C(=O)CO1
InChIInChI=1S/C14H24N2O2/c1-14(11-5-7-15-8-6-11)10-16(12-3-2-4-12)13(17)9-18-14/h11-12,15H,2-10H2,1H3
InChIKeyCLJUPDIPOSWEDB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds2

About 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one

4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one (PubChem CID 115067752) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one
PubChem CID115067752
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one
SMILESCC1(C2CCNCC2)CN(C2CCC2)C(=O)CO1
InChIInChI=1S/C14H24N2O2/c1-14(11-5-7-15-8-6-11)10-16(12-3-2-4-12)13(17)9-18-14/h11-12,15H,2-10H2,1H3
InChIKeyCLJUPDIPOSWEDB-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one?
The IUPAC name of 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one (CID 115067752) is 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one.
What is the SMILES notation for 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one?
The canonical SMILES for 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one is CC1(C2CCNCC2)CN(C2CCC2)C(=O)CO1.
What is the InChIKey of 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one?
The InChIKey is CLJUPDIPOSWEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(11-5-7-15-8-6-11)10-16(12-3-2-4-12)13(17)9-18-14/h11-12,15H,2-10H2,1H3.
What are the key properties of 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one?
4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one has a molecular weight of 252.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one is sourced from PubChem (CID 115067752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).