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

C12H21N3O2 — CID 79355244

IUPAC5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
SMILESCC1CC(=O)N(CC(=O)N2CCCC2)CC1N
InChIInChI=1S/C12H21N3O2/c1-9-6-11(16)15(7-10(9)13)8-12(17)14-4-2-3-5-14/h9-10H,2-8,13H2,1H3
InChIKeyFEZPZYUSGJXUFK-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds2

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

5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one (PubChem CID 79355244) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
PubChem CID79355244
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
SMILESCC1CC(=O)N(CC(=O)N2CCCC2)CC1N
InChIInChI=1S/C12H21N3O2/c1-9-6-11(16)15(7-10(9)13)8-12(17)14-4-2-3-5-14/h9-10H,2-8,13H2,1H3
InChIKeyFEZPZYUSGJXUFK-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168504855
4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168501534
2-(5-amino-4-methyl-2-oxopiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79355664
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
2-(5-amino-4-methyl-2-oxopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 79355559
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
CID 79355239
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one
CID 79355040
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one
CID 79355454

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one (CID 79355244) is 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one is CC1CC(=O)N(CC(=O)N2CCCC2)CC1N.
What is the InChIKey of 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
The InChIKey is FEZPZYUSGJXUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-6-11(16)15(7-10(9)13)8-12(17)14-4-2-3-5-14/h9-10H,2-8,13H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one is sourced from PubChem (CID 79355244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).