1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione

C15H28N2O3 — CID 116500053

IUPAC1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CCC)N(C(C)CCOC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-7-12-15(19)17(11(3)9-10-20-4)13(8-6-2)14(18)16-12/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyLQBSITIVDROAQD-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds8

About 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione

1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione (PubChem CID 116500053) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
PubChem CID116500053
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CCC)N(C(C)CCOC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-7-12-15(19)17(11(3)9-10-20-4)13(8-6-2)14(18)16-12/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyLQBSITIVDROAQD-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 116500131
3-(1-methoxypropan-2-yl)-2,5-dipropylimidazolidin-4-one
CID 83238801
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
3-(4-methoxybutan-2-yl)-2-propylimidazolidin-4-one
CID 83259409
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione (CID 116500053) is 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione is CCCC1NC(=O)C(CCC)N(C(C)CCOC)C1=O.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione?
The InChIKey is LQBSITIVDROAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-12-15(19)17(11(3)9-10-20-4)13(8-6-2)14(18)16-12/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione?
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione is sourced from PubChem (CID 116500053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).