6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione

C15H20N2O2S — CID 64902965

IUPAC6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C2CC2)N(Cc2ccsc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-14(2)13(19)17(8-10-6-7-20-9-10)15(3,11-4-5-11)12(18)16-14/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyVPBFJQALXNVKRY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.15
Rot. Bonds3

About 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione

6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64902965) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
PubChem CID64902965
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C2CC2)N(Cc2ccsc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-14(2)13(19)17(8-10-6-7-20-9-10)15(3,11-4-5-11)12(18)16-14/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyVPBFJQALXNVKRY-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (CID 64902965) is 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is CC1(C)NC(=O)C(C)(C2CC2)N(Cc2ccsc2)C1=O.
What is the InChIKey of 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is VPBFJQALXNVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-14(2)13(19)17(8-10-6-7-20-9-10)15(3,11-4-5-11)12(18)16-14/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).