1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one

C9H17N3O — CID 134337078

IUPAC1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one
SMILESCN1CC(N2CCN(C)C(=O)C2)C1
InChIInChI=1S/C9H17N3O/c1-10-5-8(6-10)12-4-3-11(2)9(13)7-12/h8H,3-7H2,1-2H3
InChIKeyCNICEKXVMHQZII-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.93
Rot. Bonds1

About 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one

1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one (PubChem CID 134337078) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one
PubChem CID134337078
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one
SMILESCN1CC(N2CCN(C)C(=O)C2)C1
InChIInChI=1S/C9H17N3O/c1-10-5-8(6-10)12-4-3-11(2)9(13)7-12/h8H,3-7H2,1-2H3
InChIKeyCNICEKXVMHQZII-UHFFFAOYSA-N
XLogP-0.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one (CID 134337078) is 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one is CN1CC(N2CCN(C)C(=O)C2)C1.
What is the InChIKey of 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one?
The InChIKey is CNICEKXVMHQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-10-5-8(6-10)12-4-3-11(2)9(13)7-12/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one?
1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one has a molecular weight of 183.25 g/mol, XLogP of -0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one is sourced from PubChem (CID 134337078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).