6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione

C16H28N2O2 — CID 82937313

IUPAC6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)(C)C)N(C2CCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-8-12-15(20)18(11-9-6-7-10-11)13(14(19)17-12)16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyIFPNXUSAVLJVEO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

About 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione

6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione (PubChem CID 82937313) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
PubChem CID82937313
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)(C)C)N(C2CCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-8-12-15(20)18(11-9-6-7-10-11)13(14(19)17-12)16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyIFPNXUSAVLJVEO-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione (CID 82937313) is 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)(C)C)N(C2CCCC2)C1=O.
What is the InChIKey of 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione?
The InChIKey is IFPNXUSAVLJVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-8-12-15(20)18(11-9-6-7-10-11)13(14(19)17-12)16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione?
6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 82937313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).