1-methyl-5-(2-methylbutylamino)piperidin-2-one

C11H22N2O — CID 64654315

IUPAC1-methyl-5-(2-methylbutylamino)piperidin-2-one
SMILESCCC(C)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C11H22N2O/c1-4-9(2)7-12-10-5-6-11(14)13(3)8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyIRNWYWDSELHBIK-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds4

About 1-methyl-5-(2-methylbutylamino)piperidin-2-one

1-methyl-5-(2-methylbutylamino)piperidin-2-one (PubChem CID 64654315) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-5-(2-methylbutylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-methylbutylamino)piperidin-2-one
PubChem CID64654315
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-5-(2-methylbutylamino)piperidin-2-one
SMILESCCC(C)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C11H22N2O/c1-4-9(2)7-12-10-5-6-11(14)13(3)8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyIRNWYWDSELHBIK-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylbutylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(2-methylbutylamino)piperidin-2-one (CID 64654315) is 1-methyl-5-(2-methylbutylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(2-methylbutylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(2-methylbutylamino)piperidin-2-one is CCC(C)CNC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-(2-methylbutylamino)piperidin-2-one?
The InChIKey is IRNWYWDSELHBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9(2)7-12-10-5-6-11(14)13(3)8-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methylbutylamino)piperidin-2-one?
1-methyl-5-(2-methylbutylamino)piperidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylbutylamino)piperidin-2-one is sourced from PubChem (CID 64654315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).