1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione

C12H22N2O2 — CID 64969014

IUPAC1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-6-7-9(2)14-8-10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyNGNMUWUFTCLVHC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds4

About 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione

1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64969014) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64969014
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-6-7-9(2)14-8-10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyNGNMUWUFTCLVHC-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
3,3-dimethyl-1-octan-2-yl-1,4-diazepane-2,5-dione
CID 64964979
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
1-octan-2-ylpiperazine-2,5-dione
CID 64955606
3,3-dimethyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971505
1-hexan-2-ylimidazolidin-2-one
CID 115370621
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
1-pentan-2-ylimidazolidine-2,4-dione
CID 79777351
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966476
3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970606
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione (CID 64969014) is 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione is CCCCC(C)N1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is NGNMUWUFTCLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-7-9(2)14-8-10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione?
1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64969014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).