1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one

C12H21N3O2 — CID 43229278

IUPAC1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one
SMILESCN1CCN(CC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-6-8-14(9-7-13)10-12(17)15-4-2-11(16)3-5-15/h2-10H2,1H3
InChIKeyMYFVYMALXSUUPY-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.57
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one

1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one (PubChem CID 43229278) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one
PubChem CID43229278
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one
SMILESCN1CCN(CC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-6-8-14(9-7-13)10-12(17)15-4-2-11(16)3-5-15/h2-10H2,1H3
InChIKeyMYFVYMALXSUUPY-UHFFFAOYSA-N
XLogP-0.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one (CID 43229278) is 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one is CN1CCN(CC(=O)N2CCC(=O)CC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
The InChIKey is MYFVYMALXSUUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-6-8-14(9-7-13)10-12(17)15-4-2-11(16)3-5-15/h2-10H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one?
1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one has a molecular weight of 239.32 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 43229278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).