3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione

C12H22N2O2 — CID 64970606

IUPAC3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCC(C)CCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)6-5-7-14-8-10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeySSBVYTHCDMJGGE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione

3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione (PubChem CID 64970606) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
PubChem CID64970606
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCC(C)CCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)6-5-7-14-8-10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeySSBVYTHCDMJGGE-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione (CID 64970606) is 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione is CC(C)CCCN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione?
The InChIKey is SSBVYTHCDMJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)6-5-7-14-8-10(15)13-12(3,4)11(14)16/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione?
3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 64970606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).