1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one

C11H22N2O — CID 64655130

IUPAC1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
SMILESCC(C)C(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)12-10-5-6-11(14)13(4)7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyJXZLWHMHDUHBNT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one

1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one (PubChem CID 64655130) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
PubChem CID64655130
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
SMILESCC(C)C(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)12-10-5-6-11(14)13(4)7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyJXZLWHMHDUHBNT-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(3-methylbutan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one (CID 64655130) is 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one is CC(C)C(C)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one?
The InChIKey is JXZLWHMHDUHBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9(3)12-10-5-6-11(14)13(4)7-10/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one?
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 64655130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).