3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

C15H20N2O3 — CID 64957667

IUPAC3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C2CC2)C(=O)N1Cc1ccco1
InChIInChI=1S/C15H20N2O3/c1-9(2)13-14(18)16-12(10-5-6-10)15(19)17(13)8-11-4-3-7-20-11/h3-4,7,9-10,12-13H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyUZSTWHIVOBMSLG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds4

About 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64957667) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64957667
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C2CC2)C(=O)N1Cc1ccco1
InChIInChI=1S/C15H20N2O3/c1-9(2)13-14(18)16-12(10-5-6-10)15(19)17(13)8-11-4-3-7-20-11/h3-4,7,9-10,12-13H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyUZSTWHIVOBMSLG-UHFFFAOYSA-N
XLogP1.54
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64957667) is 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C2CC2)C(=O)N1Cc1ccco1.
What is the InChIKey of 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UZSTWHIVOBMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)13-14(18)16-12(10-5-6-10)15(19)17(13)8-11-4-3-7-20-11/h3-4,7,9-10,12-13H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).