3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione

C16H23N3O2 — CID 64901571

IUPAC3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(Cc2cccnc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-5-16(4)15(21)19(10-12-7-6-8-17-9-12)13(11(2)3)14(20)18-16/h6-9,11,13H,5,10H2,1-4H3,(H,18,20)
InChIKeyKQZJBDBGXAMKNR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds4

About 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione

3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64901571) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
PubChem CID64901571
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(Cc2cccnc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-5-16(4)15(21)19(10-12-7-6-8-17-9-12)13(11(2)3)14(20)18-16/h6-9,11,13H,5,10H2,1-4H3,(H,18,20)
InChIKeyKQZJBDBGXAMKNR-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (CID 64901571) is 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is KQZJBDBGXAMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-16(4)15(21)19(10-12-7-6-8-17-9-12)13(11(2)3)14(20)18-16/h6-9,11,13H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).