3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one

C11H22N4O — CID 83024236

IUPAC3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one
SMILESCNC1CCCN(N2CCN(C)CC2)C1=O
InChIInChI=1S/C11H22N4O/c1-12-10-4-3-5-15(11(10)16)14-8-6-13(2)7-9-14/h10,12H,3-9H2,1-2H3
InChIKeyXHRLULFBICZOMO-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.64
Rot. Bonds2

About 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one

3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one (PubChem CID 83024236) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one
PubChem CID83024236
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one
SMILESCNC1CCCN(N2CCN(C)CC2)C1=O
InChIInChI=1S/C11H22N4O/c1-12-10-4-3-5-15(11(10)16)14-8-6-13(2)7-9-14/h10,12H,3-9H2,1-2H3
InChIKeyXHRLULFBICZOMO-UHFFFAOYSA-N
XLogP-0.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one?
The IUPAC name of 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one (CID 83024236) is 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one?
The canonical SMILES for 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one is CNC1CCCN(N2CCN(C)CC2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one?
The InChIKey is XHRLULFBICZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-12-10-4-3-5-15(11(10)16)14-8-6-13(2)7-9-14/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one?
3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one has a molecular weight of 226.32 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one is sourced from PubChem (CID 83024236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).