3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione

C14H19N3O2 — CID 107587007

IUPAC3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1cncc(N2C(=O)C(C)NC(=O)C2C(C)C)c1
InChIInChI=1S/C14H19N3O2/c1-8(2)12-13(18)16-10(4)14(19)17(12)11-5-9(3)6-15-7-11/h5-8,10,12H,1-4H3,(H,16,18)
InChIKeyCNIOEZNZFUBQAX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.27
Rot. Bonds2

About 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107587007) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107587007
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1cncc(N2C(=O)C(C)NC(=O)C2C(C)C)c1
InChIInChI=1S/C14H19N3O2/c1-8(2)12-13(18)16-10(4)14(19)17(12)11-5-9(3)6-15-7-11/h5-8,10,12H,1-4H3,(H,16,18)
InChIKeyCNIOEZNZFUBQAX-UHFFFAOYSA-N
XLogP1.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione (CID 107587007) is 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione is Cc1cncc(N2C(=O)C(C)NC(=O)C2C(C)C)c1.
What is the InChIKey of 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CNIOEZNZFUBQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)12-13(18)16-10(4)14(19)17(12)11-5-9(3)6-15-7-11/h5-8,10,12H,1-4H3,(H,16,18).
What are the key properties of 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107587007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).