3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione

C14H23FN2O2 — CID 81114570

IUPAC3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C2CC2)N(CCCF)C1=O
InChIInChI=1S/C14H23FN2O2/c1-14(2,3)11-13(19)17(8-4-7-15)10(9-5-6-9)12(18)16-11/h9-11H,4-8H2,1-3H3,(H,16,18)
InChIKeyPGRJVPQPLBCQQJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.50
Rot. Bonds4

About 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione

3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione (PubChem CID 81114570) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
PubChem CID81114570
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C2CC2)N(CCCF)C1=O
InChIInChI=1S/C14H23FN2O2/c1-14(2,3)11-13(19)17(8-4-7-15)10(9-5-6-9)12(18)16-11/h9-11H,4-8H2,1-3H3,(H,16,18)
InChIKeyPGRJVPQPLBCQQJ-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione (CID 81114570) is 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione is CC(C)(C)C1NC(=O)C(C2CC2)N(CCCF)C1=O.
What is the InChIKey of 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The InChIKey is PGRJVPQPLBCQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-14(2,3)11-13(19)17(8-4-7-15)10(9-5-6-9)12(18)16-11/h9-11H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione?
3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione has a molecular weight of 270.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-cyclopropyl-1-(3-fluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 81114570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).