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

C13H23N3O2 — CID 64655952

IUPAC1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)C(=O)N1CCCC1
InChIInChI=1S/C13H23N3O2/c1-10(13(18)16-7-3-4-8-16)14-11-5-6-12(17)15(2)9-11/h10-11,14H,3-9H2,1-2H3
InChIKeyNDOXEOKPHMNOAM-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds3

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

1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one (PubChem CID 64655952) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one
PubChem CID64655952
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)C(=O)N1CCCC1
InChIInChI=1S/C13H23N3O2/c1-10(13(18)16-7-3-4-8-16)14-11-5-6-12(17)15(2)9-11/h10-11,14H,3-9H2,1-2H3
InChIKeyNDOXEOKPHMNOAM-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one (CID 64655952) is 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one is CC(NC1CCC(=O)N(C)C1)C(=O)N1CCCC1.
What is the InChIKey of 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one?
The InChIKey is NDOXEOKPHMNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(13(18)16-7-3-4-8-16)14-11-5-6-12(17)15(2)9-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one?
1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 64655952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).