3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione

C15H26N2O2 — CID 64972207

IUPAC3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C(C)C2CCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-10(2)14-15(19)17(9-13(18)16-14)11(3)12-7-5-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,16,18)
InChIKeyZFWZAOSFPOXSRN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds4

About 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione

3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione (PubChem CID 64972207) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
PubChem CID64972207
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C(C)C2CCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-10(2)14-15(19)17(9-13(18)16-14)11(3)12-7-5-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,16,18)
InChIKeyZFWZAOSFPOXSRN-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-hex-5-yn-3-ylpiperazine-2,5-dione
CID 113478319
3-butan-2-yl-1-(2-methylbutan-2-yl)piperazine-2,5-dione
CID 64958198
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64961132
3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64966056
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
CID 64960605
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960795
3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 104830298

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione (CID 64972207) is 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(C(C)C2CCCC2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione?
The InChIKey is ZFWZAOSFPOXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-10(2)14-15(19)17(9-13(18)16-14)11(3)12-7-5-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione?
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64972207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).