3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione

C14H24N4O2 — CID 64971745

IUPAC3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione
SMILESCN1CCN(C)C(CN2CC(=O)NC(C3CC3)C2=O)C1
InChIInChI=1S/C14H24N4O2/c1-16-5-6-17(2)11(7-16)8-18-9-12(19)15-13(14(18)20)10-3-4-10/h10-11,13H,3-9H2,1-2H3,(H,15,19)
InChIKeyTZFGRXWPBITLLG-UHFFFAOYSA-N
MW280.37 g/mol
LogP-1.03
Rot. Bonds3

About 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione (PubChem CID 64971745) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione
PubChem CID64971745
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione
SMILESCN1CCN(C)C(CN2CC(=O)NC(C3CC3)C2=O)C1
InChIInChI=1S/C14H24N4O2/c1-16-5-6-17(2)11(7-16)8-18-9-12(19)15-13(14(18)20)10-3-4-10/h10-11,13H,3-9H2,1-2H3,(H,15,19)
InChIKeyTZFGRXWPBITLLG-UHFFFAOYSA-N
XLogP-1.03
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79077020
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-cyclopropyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64969970
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970548
3-cyclopropyl-1-(2-methyl-2-methylsulfanylpropyl)piperazine-2,5-dione
CID 113479458
3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971281
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
CID 63898397

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione (CID 64971745) is 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione is CN1CCN(C)C(CN2CC(=O)NC(C3CC3)C2=O)C1.
What is the InChIKey of 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is TZFGRXWPBITLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16-5-6-17(2)11(7-16)8-18-9-12(19)15-13(14(18)20)10-3-4-10/h10-11,13H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64971745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).