3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione

C15H27N3O2 — CID 64966271

IUPAC3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione
SMILESCCCN1CCC(N2C(=O)C(CC)NC(=O)C2C)CC1
InChIInChI=1S/C15H27N3O2/c1-4-8-17-9-6-12(7-10-17)18-11(3)14(19)16-13(5-2)15(18)20/h11-13H,4-10H2,1-3H3,(H,16,19)
InChIKeyNFAZOEJZALUOGA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.99
Rot. Bonds4

About 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione (PubChem CID 64966271) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione
PubChem CID64966271
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione
SMILESCCCN1CCC(N2C(=O)C(CC)NC(=O)C2C)CC1
InChIInChI=1S/C15H27N3O2/c1-4-8-17-9-6-12(7-10-17)18-11(3)14(19)16-13(5-2)15(18)20/h11-13H,4-10H2,1-3H3,(H,16,19)
InChIKeyNFAZOEJZALUOGA-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
3,6-diethyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960183
2-ethyl-5-propan-2-yl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83252466
1-(1-propylpiperidin-4-yl)imidazolidin-2-one
CID 18340097
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione (CID 64966271) is 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione is CCCN1CCC(N2C(=O)C(CC)NC(=O)C2C)CC1.
What is the InChIKey of 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione?
The InChIKey is NFAZOEJZALUOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-8-17-9-6-12(7-10-17)18-11(3)14(19)16-13(5-2)15(18)20/h11-13H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64966271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).