1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C12H21N3O2 — CID 79868594

IUPAC1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCC1CN(C(=O)CN2CCCC2=O)CCC1N
InChIInChI=1S/C12H21N3O2/c1-9-7-15(6-4-10(9)13)12(17)8-14-5-2-3-11(14)16/h9-10H,2-8,13H2,1H3
InChIKeyVZVXOXKZPIHXMH-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds2

About 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 79868594) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID79868594
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCC1CN(C(=O)CN2CCCC2=O)CCC1N
InChIInChI=1S/C12H21N3O2/c1-9-7-15(6-4-10(9)13)12(17)8-14-5-2-3-11(14)16/h9-10H,2-8,13H2,1H3
InChIKeyVZVXOXKZPIHXMH-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

1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
methyl (3S,4R)-3-methyl-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylate
CID 124619916
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 83198658
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
1-[2-[(3S,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 125144801
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 79868594) is 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is CC1CN(C(=O)CN2CCCC2=O)CCC1N.
What is the InChIKey of 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is VZVXOXKZPIHXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-7-15(6-4-10(9)13)12(17)8-14-5-2-3-11(14)16/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-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 1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 79868594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).