5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one

C12H23N3O2 — CID 79354825

IUPAC5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
SMILESCC1CC(=O)N(CCN2CCOCC2)CC1N
InChIInChI=1S/C12H23N3O2/c1-10-8-12(16)15(9-11(10)13)3-2-14-4-6-17-7-5-14/h10-11H,2-9,13H2,1H3
InChIKeyXAKRVLFVBBIIFY-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.49
Rot. Bonds3

About 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one

5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one (PubChem CID 79354825) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
PubChem CID79354825
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
SMILESCC1CC(=O)N(CCN2CCOCC2)CC1N
InChIInChI=1S/C12H23N3O2/c1-10-8-12(16)15(9-11(10)13)3-2-14-4-6-17-7-5-14/h10-11H,2-9,13H2,1H3
InChIKeyXAKRVLFVBBIIFY-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one (CID 79354825) is 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one is CC1CC(=O)N(CCN2CCOCC2)CC1N.
What is the InChIKey of 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The InChIKey is XAKRVLFVBBIIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-8-12(16)15(9-11(10)13)3-2-14-4-6-17-7-5-14/h10-11H,2-9,13H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one?
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one has a molecular weight of 241.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one is sourced from PubChem (CID 79354825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).