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

C14H19N3O2 — CID 102879797

IUPAC1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2cncc(C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-4-12-14(19)17(9-13(18)16-12)8-11-5-10(2)6-15-7-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyAKIIILWOAODKLO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.02
Rot. Bonds4

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

1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 102879797) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID102879797
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2cncc(C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-4-12-14(19)17(9-13(18)16-12)8-11-5-10(2)6-15-7-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyAKIIILWOAODKLO-UHFFFAOYSA-N
XLogP1.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
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)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione (CID 102879797) is 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2cncc(C)c2)C1=O.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is AKIIILWOAODKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-12-14(19)17(9-13(18)16-12)8-11-5-10(2)6-15-7-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.02, 4 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)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 102879797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).