3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione

C17H28N2O2 — CID 107888901

IUPAC3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(C)(C2CC2)NC(=O)C1(C)C1CC1
InChIInChI=1S/C17H28N2O2/c1-5-6-11(2)19-15(21)16(3,12-7-8-12)18-14(20)17(19,4)13-9-10-13/h11-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyBXJZPOYSKQCAML-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds5

About 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione

3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione (PubChem CID 107888901) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
PubChem CID107888901
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(C)(C2CC2)NC(=O)C1(C)C1CC1
InChIInChI=1S/C17H28N2O2/c1-5-6-11(2)19-15(21)16(3,12-7-8-12)18-14(20)17(19,4)13-9-10-13/h11-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyBXJZPOYSKQCAML-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888784
3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888864
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
3-cyclopropyl-6,6-diethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64885576
3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885771
3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
6-cyclopropyl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64879359
3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64885577
3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64886536
3-cyclopropyl-3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886120
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione (CID 107888901) is 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione is CCCC(C)N1C(=O)C(C)(C2CC2)NC(=O)C1(C)C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione?
The InChIKey is BXJZPOYSKQCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-11(2)19-15(21)16(3,12-7-8-12)18-14(20)17(19,4)13-9-10-13/h11-13H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione?
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107888901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).