3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione

C14H24N2O2 — CID 113464217

IUPAC3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CC2CC2C)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-14(6-2)13(18)16(8-11-7-9(11)3)10(4)12(17)15-14/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyZDHSQWABPLNLPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds4

About 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione

3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione (PubChem CID 113464217) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
PubChem CID113464217
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CC2CC2C)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-14(6-2)13(18)16(8-11-7-9(11)3)10(4)12(17)15-14/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyZDHSQWABPLNLPH-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79070914
3,3-diethyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459079
3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
3,3-diethyl-6-methyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160170
3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
CID 113486061
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524
1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958952

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione (CID 113464217) is 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(CC2CC2C)C1=O.
What is the InChIKey of 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione?
The InChIKey is ZDHSQWABPLNLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-14(6-2)13(18)16(8-11-7-9(11)3)10(4)12(17)15-14/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione?
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 113464217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).