3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione

C16H28N2O3 — CID 64972933

IUPAC3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
SMILESCCCC(COC)N1C(=O)C(C)(C2CC2)NC(=O)C1CC
InChIInChI=1S/C16H28N2O3/c1-5-7-12(10-21-4)18-13(6-2)14(19)17-16(3,15(18)20)11-8-9-11/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyBQXOYVOBAAHKRV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds7

About 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione (PubChem CID 64972933) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
PubChem CID64972933
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
SMILESCCCC(COC)N1C(=O)C(C)(C2CC2)NC(=O)C1CC
InChIInChI=1S/C16H28N2O3/c1-5-7-12(10-21-4)18-13(6-2)14(19)17-16(3,15(18)20)11-8-9-11/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyBQXOYVOBAAHKRV-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64966786
6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64972906
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64972792
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione (CID 64972933) is 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione is CCCC(COC)N1C(=O)C(C)(C2CC2)NC(=O)C1CC.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione?
The InChIKey is BQXOYVOBAAHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-7-12(10-21-4)18-13(6-2)14(19)17-16(3,15(18)20)11-8-9-11/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64972933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).