3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione

C14H19N3O2 — CID 11065225

IUPAC3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C)NC(=O)C1c1ccccn1
InChIInChI=1S/C14H19N3O2/c1-9(2)8-17-12(11-6-4-5-7-15-11)13(18)16-10(3)14(17)19/h4-7,9-10,12H,8H2,1-3H3,(H,16,18)
InChIKeyDVZJBPNOLJDEIQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds3

About 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione

3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione (PubChem CID 11065225) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione
PubChem CID11065225
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C)NC(=O)C1c1ccccn1
InChIInChI=1S/C14H19N3O2/c1-9(2)8-17-12(11-6-4-5-7-15-11)13(18)16-10(3)14(17)19/h4-7,9-10,12H,8H2,1-3H3,(H,16,18)
InChIKeyDVZJBPNOLJDEIQ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione (CID 11065225) is 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione is CC(C)CN1C(=O)C(C)NC(=O)C1c1ccccn1.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?
The InChIKey is DVZJBPNOLJDEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)8-17-12(11-6-4-5-7-15-11)13(18)16-10(3)14(17)19/h4-7,9-10,12H,8H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?
3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 11065225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).