3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione

C15H26N2O4 — CID 103414802

IUPAC3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOCCOCCCN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C15H26N2O4/c1-11-13(18)16-15(2,12-5-6-12)14(19)17(11)7-4-8-21-10-9-20-3/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyVTOUZLZUFYTUKL-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.56
Rot. Bonds8

About 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione

3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 103414802) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID103414802
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOCCOCCCN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C15H26N2O4/c1-11-13(18)16-15(2,12-5-6-12)14(19)17(11)7-4-8-21-10-9-20-3/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyVTOUZLZUFYTUKL-UHFFFAOYSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-3-cyclopropyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64884994
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
6-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3-cyclopropyl-3,6-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106433005
3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64886515
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
9-(3-ethoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958654
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
3-cyclopropyl-3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963504
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione (CID 103414802) is 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione is COCCOCCCN1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is VTOUZLZUFYTUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-13(18)16-15(2,12-5-6-12)14(19)17(11)7-4-8-21-10-9-20-3/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 298.38 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 103414802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).