3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione

C15H27N3O2 — CID 64963616

IUPAC3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
SMILESCCN1CCC(CN2CC(=O)NC(CC)(CC)C2=O)C1
InChIInChI=1S/C15H27N3O2/c1-4-15(5-2)14(20)18(11-13(19)16-15)10-12-7-8-17(6-3)9-12/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyWBQJKDKPUPDEEU-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds5

About 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione

3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione (PubChem CID 64963616) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
PubChem CID64963616
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
SMILESCCN1CCC(CN2CC(=O)NC(CC)(CC)C2=O)C1
InChIInChI=1S/C15H27N3O2/c1-4-15(5-2)14(20)18(11-13(19)16-15)10-12-7-8-17(6-3)9-12/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyWBQJKDKPUPDEEU-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64963520
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
CID 64963911
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619343
1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
CID 115371072
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967600
1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64963951
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione (CID 64963616) is 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione is CCN1CCC(CN2CC(=O)NC(CC)(CC)C2=O)C1.
What is the InChIKey of 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is WBQJKDKPUPDEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-15(5-2)14(20)18(11-13(19)16-15)10-12-7-8-17(6-3)9-12/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione?
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64963616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).