1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione

C13H17N3O2 — CID 107587022

IUPAC1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cncc(C)c2)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-4-11-13(18)16(8-12(17)15-11)10-5-9(2)6-14-7-10/h5-7,11H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyNXZQJTIZNBCHLB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.02
Rot. Bonds3

About 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione

1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione (PubChem CID 107587022) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
PubChem CID107587022
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cncc(C)c2)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-4-11-13(18)16(8-12(17)15-11)10-5-9(2)6-14-7-10/h5-7,11H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyNXZQJTIZNBCHLB-UHFFFAOYSA-N
XLogP1.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione (CID 107587022) is 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2cncc(C)c2)C1=O.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione?
The InChIKey is NXZQJTIZNBCHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-4-11-13(18)16(8-12(17)15-11)10-5-9(2)6-14-7-10/h5-7,11H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione?
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 107587022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).