6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione

C15H27N3O2 — CID 64964568

IUPAC6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CCCN(C)C1
InChIInChI=1S/C15H27N3O2/c1-5-12-14(19)16-13(10(2)3)15(20)18(12)11-7-6-8-17(4)9-11/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyZQSCXWQGZUDMOS-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.84
Rot. Bonds3

About 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione

6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64964568) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64964568
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CCCN(C)C1
InChIInChI=1S/C15H27N3O2/c1-5-12-14(19)16-13(10(2)3)15(20)18(12)11-7-6-8-17(4)9-11/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyZQSCXWQGZUDMOS-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-(1-ethylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965128
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
5-ethyl-3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83256390
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
3,6-diethyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960183
3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83247094
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902522
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64964568) is 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1C1CCCN(C)C1.
What is the InChIKey of 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ZQSCXWQGZUDMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-12-14(19)16-13(10(2)3)15(20)18(12)11-7-6-8-17(4)9-11/h10-13H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64964568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).