1-methyl-5-(2-methylpropyl)piperazin-2-one

C9H18N2O — CID 44630637

IUPAC1-methyl-5-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(C)C(=O)CN1
InChIInChI=1S/C9H18N2O/c1-7(2)4-8-6-11(3)9(12)5-10-8/h7-8,10H,4-6H2,1-3H3
InChIKeyUUCLKCBICYZVPW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds2

About 1-methyl-5-(2-methylpropyl)piperazin-2-one

1-methyl-5-(2-methylpropyl)piperazin-2-one (PubChem CID 44630637) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropyl)piperazin-2-one
PubChem CID44630637
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-methyl-5-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(C)C(=O)CN1
InChIInChI=1S/C9H18N2O/c1-7(2)4-8-6-11(3)9(12)5-10-8/h7-8,10H,4-6H2,1-3H3
InChIKeyUUCLKCBICYZVPW-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
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-methylpropyl)piperazin-2-one?
The IUPAC name of 1-methyl-5-(2-methylpropyl)piperazin-2-one (CID 44630637) is 1-methyl-5-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-5-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 1-methyl-5-(2-methylpropyl)piperazin-2-one is CC(C)CC1CN(C)C(=O)CN1.
What is the InChIKey of 1-methyl-5-(2-methylpropyl)piperazin-2-one?
The InChIKey is UUCLKCBICYZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)4-8-6-11(3)9(12)5-10-8/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methylpropyl)piperazin-2-one?
1-methyl-5-(2-methylpropyl)piperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 44630637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).