1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one

C14H19N5O2 — CID 35016479

IUPAC1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H19N5O2/c20-13-2-1-5-19(13)14(21)11-17-6-8-18(9-7-17)12-10-15-3-4-16-12/h3-4,10H,1-2,5-9,11H2
InChIKeyLAGAABHDTBEFGO-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.25
Rot. Bonds3

About 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one

1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one (PubChem CID 35016479) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one
PubChem CID35016479
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H19N5O2/c20-13-2-1-5-19(13)14(21)11-17-6-8-18(9-7-17)12-10-15-3-4-16-12/h3-4,10H,1-2,5-9,11H2
InChIKeyLAGAABHDTBEFGO-UHFFFAOYSA-N
XLogP-0.25
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one (CID 35016479) is 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CN1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
The InChIKey is LAGAABHDTBEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-13-2-1-5-19(13)14(21)11-17-6-8-18(9-7-17)12-10-15-3-4-16-12/h3-4,10H,1-2,5-9,11H2.
What are the key properties of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one has a molecular weight of 289.34 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 35016479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).