3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64957705

IUPAC3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1ccco1
InChIInChI=1S/C15H20N2O3/c1-3-12-13(18)16-15(2,10-6-7-10)14(19)17(12)9-11-5-4-8-20-11/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyAKVKKNLRSKKWSB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.69
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione (PubChem CID 64957705) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
PubChem CID64957705
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1ccco1
InChIInChI=1S/C15H20N2O3/c1-3-12-13(18)16-15(2,10-6-7-10)14(19)17(12)9-11-5-4-8-20-11/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyAKVKKNLRSKKWSB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione (CID 64957705) is 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1ccco1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione?
The InChIKey is AKVKKNLRSKKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-12-13(18)16-15(2,10-6-7-10)14(19)17(12)9-11-5-4-8-20-11/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64957705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).