3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione

C14H19N3O2 — CID 64874084

IUPAC3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(Cc2ccncc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)12-13(18)16-10(3)14(19)17(12)8-11-4-6-15-7-5-11/h4-7,9-10,12H,8H2,1-3H3,(H,16,18)
InChIKeyAUYDZRHZVBLICU-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.95
Rot. Bonds3

About 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione

3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64874084) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
PubChem CID64874084
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(Cc2ccncc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)12-13(18)16-10(3)14(19)17(12)8-11-4-6-15-7-5-11/h4-7,9-10,12H,8H2,1-3H3,(H,16,18)
InChIKeyAUYDZRHZVBLICU-UHFFFAOYSA-N
XLogP0.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione (CID 64874084) is 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(Cc2ccncc2)C1=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is AUYDZRHZVBLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)12-13(18)16-10(3)14(19)17(12)8-11-4-6-15-7-5-11/h4-7,9-10,12H,8H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione?
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64874084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).