1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one

C14H23N3O — CID 82908045

IUPAC1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCC1CNC(C)(C)CN1CCn1ccccc1=O
InChIInChI=1S/C14H23N3O/c1-12-10-15-14(2,3)11-17(12)9-8-16-7-5-4-6-13(16)18/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQIIVDPFKAOLREF-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.92
Rot. Bonds3

About 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one

1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one (PubChem CID 82908045) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
PubChem CID82908045
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCC1CNC(C)(C)CN1CCn1ccccc1=O
InChIInChI=1S/C14H23N3O/c1-12-10-15-14(2,3)11-17(12)9-8-16-7-5-4-6-13(16)18/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQIIVDPFKAOLREF-UHFFFAOYSA-N
XLogP0.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one (CID 82908045) is 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one is CC1CNC(C)(C)CN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one?
The InChIKey is QIIVDPFKAOLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-10-15-14(2,3)11-17(12)9-8-16-7-5-4-6-13(16)18/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one?
1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82908045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).