3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione

C15H21N3O2 — CID 79260475

IUPAC3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1Cc1cccc(C)n1
InChIInChI=1S/C15H21N3O2/c1-4-6-13-14(19)17-11(3)15(20)18(13)9-12-8-5-7-10(2)16-12/h5,7-8,11,13H,4,6,9H2,1-3H3,(H,17,19)
InChIKeyKXNDWRQXSPDCEX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds4

About 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione

3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 79260475) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID79260475
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1Cc1cccc(C)n1
InChIInChI=1S/C15H21N3O2/c1-4-6-13-14(19)17-11(3)15(20)18(13)9-12-8-5-7-10(2)16-12/h5,7-8,11,13H,4,6,9H2,1-3H3,(H,17,19)
InChIKeyKXNDWRQXSPDCEX-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione (CID 79260475) is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)C(=O)N1Cc1cccc(C)n1.
What is the InChIKey of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is KXNDWRQXSPDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-6-13-14(19)17-11(3)15(20)18(13)9-12-8-5-7-10(2)16-12/h5,7-8,11,13H,4,6,9H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione?
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 79260475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).