1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione

C17H30N2O2 — CID 64959767

IUPAC1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-9-14-17(21)19(13-10-7-5-6-8-11-13)15(12(2)3)16(20)18-14/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyJAAZASJHPCFCMG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds4

About 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64959767) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64959767
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-9-14-17(21)19(13-10-7-5-6-8-11-13)15(12(2)3)16(20)18-14/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyJAAZASJHPCFCMG-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
1-(2,3-dimethylcyclopentyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64973429
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
CID 82937313
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
3-cyclooctyl-2-ethyl-5-propylimidazolidin-4-one
CID 83238796
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973712
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64959767) is 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is JAAZASJHPCFCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-9-14-17(21)19(13-10-7-5-6-8-11-13)15(12(2)3)16(20)18-14/h12-15H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64959767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).