1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione

C16H30N2O3 — CID 106458916

IUPAC1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)C)C(=O)N1CCOCC(C)C
InChIInChI=1S/C16H30N2O3/c1-6-7-13-15(19)17-14(12(4)5)16(20)18(13)8-9-21-10-11(2)3/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyHJEUNHOFXQCLBS-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds8

About 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione

1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione (PubChem CID 106458916) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
PubChem CID106458916
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)C)C(=O)N1CCOCC(C)C
InChIInChI=1S/C16H30N2O3/c1-6-7-13-15(19)17-14(12(4)5)16(20)18(13)8-9-21-10-11(2)3/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyHJEUNHOFXQCLBS-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
1-(2-methoxyethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873401
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106440615
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione (CID 106458916) is 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)C)C(=O)N1CCOCC(C)C.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The InChIKey is HJEUNHOFXQCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-7-13-15(19)17-14(12(4)5)16(20)18(13)8-9-21-10-11(2)3/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 106458916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).