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

C12H21N3O2 — CID 64655345

IUPAC1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one
SMILESCN1CC(NCC(=O)N2CCCC2)CCC1=O
InChIInChI=1S/C12H21N3O2/c1-14-9-10(4-5-11(14)16)13-8-12(17)15-6-2-3-7-15/h10,13H,2-9H2,1H3
InChIKeyXYUOOHLBEOVZBJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds3

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

1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one (PubChem CID 64655345) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one
PubChem CID64655345
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one
SMILESCN1CC(NCC(=O)N2CCCC2)CCC1=O
InChIInChI=1S/C12H21N3O2/c1-14-9-10(4-5-11(14)16)13-8-12(17)15-6-2-3-7-15/h10,13H,2-9H2,1H3
InChIKeyXYUOOHLBEOVZBJ-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(2-methylprop-2-enylamino)piperidin-2-one
CID 64654537
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one
CID 64655952
N,N-diethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]acetamide
CID 64656762
N-(3-methylbutan-2-yl)-2-[(1-methyl-6-oxopiperidin-3-yl)amino]acetamide
CID 64655543
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
methyl 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanoate
CID 79624900
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
1-methyl-5-(2-methylbutylamino)piperidin-2-one
CID 64654315
1-methyl-5-(3-methylbut-2-enylamino)piperidin-2-one
CID 106547211
N,N-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanamide
CID 64656353
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one (CID 64655345) is 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one is CN1CC(NCC(=O)N2CCCC2)CCC1=O.
What is the InChIKey of 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one?
The InChIKey is XYUOOHLBEOVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-9-10(4-5-11(14)16)13-8-12(17)15-6-2-3-7-15/h10,13H,2-9H2,1H3.
What are the key properties of 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one?
1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-2-one is sourced from PubChem (CID 64655345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).