3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione

C17H30N2O2 — CID 64885577

IUPAC3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C)(C2CC2)NC(=O)C1(CC)CC
InChIInChI=1S/C17H30N2O2/c1-5-8-9-12-19-15(21)16(4,13-10-11-13)18-14(20)17(19,6-2)7-3/h13H,5-12H2,1-4H3,(H,18,20)
InChIKeyXAQXVXPRNFVCOT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds7

About 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione

3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione (PubChem CID 64885577) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
PubChem CID64885577
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C)(C2CC2)NC(=O)C1(CC)CC
InChIInChI=1S/C17H30N2O2/c1-5-8-9-12-19-15(21)16(4,13-10-11-13)18-14(20)17(19,6-2)7-3/h13H,5-12H2,1-4H3,(H,18,20)
InChIKeyXAQXVXPRNFVCOT-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6,6-diethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64885576
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64885386
3,6,6-triethyl-1-pentylpiperazine-2,5-dione
CID 64901293
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64886536
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885771
6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
CID 104650419
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione (CID 64885577) is 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione is CCCCCN1C(=O)C(C)(C2CC2)NC(=O)C1(CC)CC.
What is the InChIKey of 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione?
The InChIKey is XAQXVXPRNFVCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-8-9-12-19-15(21)16(4,13-10-11-13)18-14(20)17(19,6-2)7-3/h13H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione?
3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione is sourced from PubChem (CID 64885577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).