2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one

C13H24N2O2 — CID 58333431

IUPAC2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)13(16)15-5-3-12(4-6-15)14-7-9-17-10-8-14/h11-12H,3-10H2,1-2H3
InChIKeyJUDAKKKJZCYZFR-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds2

About 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one

2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 58333431) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID58333431
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)13(16)15-5-3-12(4-6-15)14-7-9-17-10-8-14/h11-12H,3-10H2,1-2H3
InChIKeyJUDAKKKJZCYZFR-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one (CID 58333431) is 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one is CC(C)C(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is JUDAKKKJZCYZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)13(16)15-5-3-12(4-6-15)14-7-9-17-10-8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one?
2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 58333431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).