6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione

C16H23N3O2 — CID 64963120

IUPAC6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(C(C)c2cccnc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14-16(21)19(12(4)15(20)18-14)11(3)13-6-5-7-17-9-13/h5-7,9-12,14H,8H2,1-4H3,(H,18,20)
InChIKeySGEBRDZCAGFQIY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.90
Rot. Bonds4

About 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione

6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione (PubChem CID 64963120) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
PubChem CID64963120
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(C(C)c2cccnc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14-16(21)19(12(4)15(20)18-14)11(3)13-6-5-7-17-9-13/h5-7,9-12,14H,8H2,1-4H3,(H,18,20)
InChIKeySGEBRDZCAGFQIY-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702109
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
(3S)-3-(2-methylpropyl)-6-pyridin-3-ylpiperazine-2,5-dione
CID 155955747
6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963209
6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962323
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64968810
2,3-dimethyl-1-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 79396939
1-(2,3-difluorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64963921
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione (CID 64963120) is 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(C(C)c2cccnc2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
The InChIKey is SGEBRDZCAGFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)8-14-16(21)19(12(4)15(20)18-14)11(3)13-6-5-7-17-9-13/h5-7,9-12,14H,8H2,1-4H3,(H,18,20).
What are the key properties of 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione?
6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).