1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one

C12H20N2O3 — CID 43793078

IUPAC1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one
SMILESCC1COCCN1CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H20N2O3/c1-10-9-17-7-6-14(10)8-12(16)13-4-2-11(15)3-5-13/h10H,2-9H2,1H3
InChIKeyLWRAXINFKWTZMC-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.10
Rot. Bonds2

About 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one

1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one (PubChem CID 43793078) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one
PubChem CID43793078
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one
SMILESCC1COCCN1CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H20N2O3/c1-10-9-17-7-6-14(10)8-12(16)13-4-2-11(15)3-5-13/h10H,2-9H2,1H3
InChIKeyLWRAXINFKWTZMC-UHFFFAOYSA-N
XLogP-0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one (CID 43793078) is 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one is CC1COCCN1CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one?
The InChIKey is LWRAXINFKWTZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10-9-17-7-6-14(10)8-12(16)13-4-2-11(15)3-5-13/h10H,2-9H2,1H3.
What are the key properties of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one?
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one has a molecular weight of 240.30 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 43793078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).