3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione

C16H22N2O2 — CID 64881358

IUPAC3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
SMILESCCCCCN1CC(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-4-8-11-18-12-14(19)17-16(2,15(18)20)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19)
InChIKeyKIJALGAEJRGLCD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione

3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione (PubChem CID 64881358) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
PubChem CID64881358
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
SMILESCCCCCN1CC(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-4-8-11-18-12-14(19)17-16(2,15(18)20)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19)
InChIKeyKIJALGAEJRGLCD-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
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

1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 81110235
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64881353
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965769
3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
CID 64882721
1-(3-methoxypropyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64881892
3-methyl-1-pent-4-ynyl-3-phenyl-1,4-diazepane-2,5-dione
CID 106222106
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880416
1-(2-ethoxyethyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64882280
3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64884629
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione (CID 64881358) is 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione is CCCCCN1CC(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione?
The InChIKey is KIJALGAEJRGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-8-11-18-12-14(19)17-16(2,15(18)20)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione?
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64881358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).