6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione

C15H21N3O2 — CID 64963209

IUPAC6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C(C)c2ccncc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-9(2)13-15(20)18(11(4)14(19)17-13)10(3)12-5-7-16-8-6-12/h5-11,13H,1-4H3,(H,17,19)
InChIKeyIJLYWTAQBGQQIO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.51
Rot. Bonds3

About 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione

6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 64963209) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID64963209
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C(C)c2ccncc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-9(2)13-15(20)18(11(4)14(19)17-13)10(3)12-5-7-16-8-6-12/h5-11,13H,1-4H3,(H,17,19)
InChIKeyIJLYWTAQBGQQIO-UHFFFAOYSA-N
XLogP1.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

6-methyl-1-[1-(2-methylphenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966064
6-methyl-1-(3-methylbutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959782
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970537
1-(1-cyclopentylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64972264
1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 66243258
6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963120
6-methyl-3-propan-2-yl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956449
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64967279
6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959513
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64872478

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione (CID 64963209) is 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione is CC(C)C1NC(=O)C(C)N(C(C)c2ccncc2)C1=O.
What is the InChIKey of 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is IJLYWTAQBGQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)13-15(20)18(11(4)14(19)17-13)10(3)12-5-7-16-8-6-12/h5-11,13H,1-4H3,(H,17,19).
What are the key properties of 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).