1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one

C11H21N3O — CID 21050526

IUPAC1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one
SMILESCN1CCC(N2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C11H21N3O/c1-12-5-3-10(4-6-12)14-8-7-13(2)11(15)9-14/h10H,3-9H2,1-2H3
InChIKeyHFXKTNFEKHOQKI-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.15
Rot. Bonds1

About 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one

1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one (PubChem CID 21050526) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one
PubChem CID21050526
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one
SMILESCN1CCC(N2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C11H21N3O/c1-12-5-3-10(4-6-12)14-8-7-13(2)11(15)9-14/h10H,3-9H2,1-2H3
InChIKeyHFXKTNFEKHOQKI-UHFFFAOYSA-N
XLogP-0.15
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.15
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-methylpiperidin-4-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one (CID 21050526) is 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one is CN1CCC(N2CCN(C)C(=O)C2)CC1.
What is the InChIKey of 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one?
The InChIKey is HFXKTNFEKHOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-12-5-3-10(4-6-12)14-8-7-13(2)11(15)9-14/h10H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one?
1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.15, 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-methylpiperidin-4-yl)piperazin-2-one is sourced from PubChem (CID 21050526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).