3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one

C17H27N5O2 — CID 91832609

IUPAC3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCC1CCN(C(=O)CCN2CCN(c3ncc[nH]c3=O)CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-14-2-8-21(9-3-14)15(23)4-7-20-10-12-22(13-11-20)16-17(24)19-6-5-18-16/h5-6,14H,2-4,7-13H2,1H3,(H,19,24)
InChIKeyFJMNHZSFEQBAAA-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.54
Rot. Bonds4

About 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 91832609) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID91832609
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCC1CCN(C(=O)CCN2CCN(c3ncc[nH]c3=O)CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-14-2-8-21(9-3-14)15(23)4-7-20-10-12-22(13-11-20)16-17(24)19-6-5-18-16/h5-6,14H,2-4,7-13H2,1H3,(H,19,24)
InChIKeyFJMNHZSFEQBAAA-UHFFFAOYSA-N
XLogP0.54
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 91832609) is 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one is CC1CCN(C(=O)CCN2CCN(c3ncc[nH]c3=O)CC2)CC1.
What is the InChIKey of 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is FJMNHZSFEQBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14-2-8-21(9-3-14)15(23)4-7-20-10-12-22(13-11-20)16-17(24)19-6-5-18-16/h5-6,14H,2-4,7-13H2,1H3,(H,19,24).
What are the key properties of 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 333.44 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 91832609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).