6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione

C14H26N2O2 — CID 64873577

IUPAC6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(CCC)NC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-7-8-10-16-12(17)11(9-6-2)15-13(18)14(16,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyIPZLOQGVRKGCQH-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.08
Rot. Bonds6

About 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione

6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione (PubChem CID 64873577) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
PubChem CID64873577
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(CCC)NC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-7-8-10-16-12(17)11(9-6-2)15-13(18)14(16,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyIPZLOQGVRKGCQH-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
3-cyclopropyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64886773
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364
6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
CID 83169739
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64887461
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione (CID 64873577) is 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione is CCCCCN1C(=O)C(CCC)NC(=O)C1(C)C.
What is the InChIKey of 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione?
The InChIKey is IPZLOQGVRKGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-8-10-16-12(17)11(9-6-2)15-13(18)14(16,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione?
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64873577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).