1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione

C14H26N2O2 — CID 64969088

IUPAC1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCCC(C)N1C(=O)C(CCC)NC(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-5-7-9-10(3)16-11(4)13(17)15-12(8-6-2)14(16)18/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyDDJJDEXAOHKNJU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.08
Rot. Bonds6

About 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione

1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64969088) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64969088
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCCC(C)N1C(=O)C(CCC)NC(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-5-7-9-10(3)16-11(4)13(17)15-12(8-6-2)14(16)18/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyDDJJDEXAOHKNJU-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione (CID 64969088) is 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione is CCCCC(C)N1C(=O)C(CCC)NC(=O)C1C.
What is the InChIKey of 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is DDJJDEXAOHKNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-9-10(3)16-11(4)13(17)15-12(8-6-2)14(16)18/h10-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione?
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64969088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).