1-methyl-4-(3-methylbutanoyl)piperazin-2-one

C10H18N2O2 — CID 110708045

IUPAC1-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCC(C)CC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H18N2O2/c1-8(2)6-9(13)12-5-4-11(3)10(14)7-12/h8H,4-7H2,1-3H3
InChIKeyBHDKWGNBKBUHDW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds2

About 1-methyl-4-(3-methylbutanoyl)piperazin-2-one

1-methyl-4-(3-methylbutanoyl)piperazin-2-one (PubChem CID 110708045) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutanoyl)piperazin-2-one
PubChem CID110708045
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCC(C)CC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H18N2O2/c1-8(2)6-9(13)12-5-4-11(3)10(14)7-12/h8H,4-7H2,1-3H3
InChIKeyBHDKWGNBKBUHDW-UHFFFAOYSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-methylbutanoyl)piperazin-2-one (CID 110708045) is 1-methyl-4-(3-methylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-methylbutanoyl)piperazin-2-one is CC(C)CC(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The InChIKey is BHDKWGNBKBUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)6-9(13)12-5-4-11(3)10(14)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(3-methylbutanoyl)piperazin-2-one?
1-methyl-4-(3-methylbutanoyl)piperazin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutanoyl)piperazin-2-one is sourced from PubChem (CID 110708045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).