4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one

C12H22N4O2 — CID 79328041

IUPAC4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H22N4O2/c1-9-12(18)14-4-7-16(9)11(17)8-15-5-2-10(13)3-6-15/h9-10H,2-8,13H2,1H3,(H,14,18)
InChIKeyAYVINLYZZAHSLI-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.24
Rot. Bonds2

About 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one

4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one (PubChem CID 79328041) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one
PubChem CID79328041
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H22N4O2/c1-9-12(18)14-4-7-16(9)11(17)8-15-5-2-10(13)3-6-15/h9-10H,2-8,13H2,1H3,(H,14,18)
InChIKeyAYVINLYZZAHSLI-UHFFFAOYSA-N
XLogP-1.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one (CID 79328041) is 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)CN1CCC(N)CC1.
What is the InChIKey of 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one?
The InChIKey is AYVINLYZZAHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9-12(18)14-4-7-16(9)11(17)8-15-5-2-10(13)3-6-15/h9-10H,2-8,13H2,1H3,(H,14,18).
What are the key properties of 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one?
4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one has a molecular weight of 254.33 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 79328041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).