6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione

C14H24N2O2 — CID 64887094

IUPAC6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CC
InChIInChI=1S/C14H24N2O2/c1-5-9(3)11-12(17)15-14(4,10-7-8-10)13(18)16(11)6-2/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyMRLUANGSMCKFMD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds4

About 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione

6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64887094) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64887094
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CC
InChIInChI=1S/C14H24N2O2/c1-5-9(3)11-12(17)15-14(4,10-7-8-10)13(18)16(11)6-2/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyMRLUANGSMCKFMD-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione (CID 64887094) is 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1CC.
What is the InChIKey of 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is MRLUANGSMCKFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-9(3)11-12(17)15-14(4,10-7-8-10)13(18)16(11)6-2/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione?
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64887094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).