6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione

C16H23N3O2 — CID 64902486

IUPAC6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1Cc1ccncc1
InChIInChI=1S/C16H23N3O2/c1-4-14-15(20)18-13(9-11(2)3)16(21)19(14)10-12-5-7-17-8-6-12/h5-8,11,13-14H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyKYFSMWYTEXJCJZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds5

About 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione

6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64902486) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
PubChem CID64902486
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1Cc1ccncc1
InChIInChI=1S/C16H23N3O2/c1-4-14-15(20)18-13(9-11(2)3)16(21)19(14)10-12-5-7-17-8-6-12/h5-8,11,13-14H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyKYFSMWYTEXJCJZ-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione (CID 64902486) is 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1Cc1ccncc1.
What is the InChIKey of 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is KYFSMWYTEXJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-14-15(20)18-13(9-11(2)3)16(21)19(14)10-12-5-7-17-8-6-12/h5-8,11,13-14H,4,9-10H2,1-3H3,(H,18,20).
What are the key properties of 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).