3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione

C15H21N3O2 — CID 64963066

IUPAC3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(C)c2ccncc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-5-15(4)14(20)18(11(3)13(19)17-15)10(2)12-6-8-16-9-7-12/h6-11H,5H2,1-4H3,(H,17,19)
InChIKeyHZAZONCUMHIEAU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds3

About 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 64963066) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID64963066
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(C)c2ccncc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-5-15(4)14(20)18(11(3)13(19)17-15)10(2)12-6-8-16-9-7-12/h6-11H,5H2,1-4H3,(H,17,19)
InChIKeyHZAZONCUMHIEAU-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969649
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
CID 64957642
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963209
3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 114957745
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969533
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione (CID 64963066) is 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C(C)c2ccncc2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is HZAZONCUMHIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-15(4)14(20)18(11(3)13(19)17-15)10(2)12-6-8-16-9-7-12/h6-11H,5H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).