3,3-dimethyl-1-propylpiperazine-2,5-dione

C9H16N2O2 — CID 64881118

IUPAC3,3-dimethyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-5-11-6-7(12)10-9(2,3)8(11)13/h4-6H2,1-3H3,(H,10,12)
InChIKeyYHGJFRDEGDNFOY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds2

About 3,3-dimethyl-1-propylpiperazine-2,5-dione

3,3-dimethyl-1-propylpiperazine-2,5-dione (PubChem CID 64881118) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-propylpiperazine-2,5-dione
PubChem CID64881118
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3,3-dimethyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-5-11-6-7(12)10-9(2,3)8(11)13/h4-6H2,1-3H3,(H,10,12)
InChIKeyYHGJFRDEGDNFOY-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
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-propylpiperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-propylpiperazine-2,5-dione (CID 64881118) is 3,3-dimethyl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-propylpiperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-propylpiperazine-2,5-dione?
The InChIKey is YHGJFRDEGDNFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-11-6-7(12)10-9(2,3)8(11)13/h4-6H2,1-3H3,(H,10,12).
What are the key properties of 3,3-dimethyl-1-propylpiperazine-2,5-dione?
3,3-dimethyl-1-propylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 64881118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).