1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

C16H30N2O3 — CID 64972873

IUPAC1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(CCC)COC)C1=O
InChIInChI=1S/C16H30N2O3/c1-6-8-12(10-21-5)18-14(11(3)4)15(19)17-13(9-7-2)16(18)20/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyPXMBJNPCLURVLL-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds8

About 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64972873) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64972873
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(CCC)COC)C1=O
InChIInChI=1S/C16H30N2O3/c1-6-8-12(10-21-5)18-14(11(3)4)15(19)17-13(9-7-2)16(18)20/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyPXMBJNPCLURVLL-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83262701
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64972901
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64972792
5-ethyl-3-(1-methoxypentan-2-yl)-2-methylimidazolidin-4-one
CID 83263467
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64972873) is 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(C(CCC)COC)C1=O.
What is the InChIKey of 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is PXMBJNPCLURVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-8-12(10-21-5)18-14(11(3)4)15(19)17-13(9-7-2)16(18)20/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64972873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).