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

C16H23N3O2 — CID 102879738

IUPAC6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2cncc(C)c2)C1=O
InChIInChI=1S/C16H23N3O2/c1-5-6-13-14(20)19(16(3,4)15(21)18-13)10-12-7-11(2)8-17-9-12/h7-9,13H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyCTLCJTWAEBHYMG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.80
Rot. Bonds4

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

6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 102879738) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID102879738
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2cncc(C)c2)C1=O
InChIInChI=1S/C16H23N3O2/c1-5-6-13-14(20)19(16(3,4)15(21)18-13)10-12-7-11(2)8-17-9-12/h7-9,13H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyCTLCJTWAEBHYMG-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879797
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879746
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 102879290
6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64872787
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione (CID 102879738) is 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(Cc2cncc(C)c2)C1=O.
What is the InChIKey of 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is CTLCJTWAEBHYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-6-13-14(20)19(16(3,4)15(21)18-13)10-12-7-11(2)8-17-9-12/h7-9,13H,5-6,10H2,1-4H3,(H,18,21).
What are the key properties of 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione?
6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 102879738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).