1-pentan-3-yl-3-phenylpiperazine-2,5-dione

C15H20N2O2 — CID 64958214

IUPAC1-pentan-3-yl-3-phenylpiperazine-2,5-dione
SMILESCCC(CC)N1CC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-3-12(4-2)17-10-13(18)16-14(15(17)19)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyGGYVBYLLBVBZAV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.87
Rot. Bonds4

About 1-pentan-3-yl-3-phenylpiperazine-2,5-dione

1-pentan-3-yl-3-phenylpiperazine-2,5-dione (PubChem CID 64958214) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-pentan-3-yl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-pentan-3-yl-3-phenylpiperazine-2,5-dione
PubChem CID64958214
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-pentan-3-yl-3-phenylpiperazine-2,5-dione
SMILESCCC(CC)N1CC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-3-12(4-2)17-10-13(18)16-14(15(17)19)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyGGYVBYLLBVBZAV-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883939
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64960044
1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione
CID 114551374
(3S)-3-(4-hydroxyphenyl)-1-propan-2-ylpiperazine-2,5-dione
CID 129498052
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
1-(4-methoxybutan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64973109
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-pentan-3-yl-3-phenylpiperazine-2,5-dione (CID 64958214) is 1-pentan-3-yl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-pentan-3-yl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-pentan-3-yl-3-phenylpiperazine-2,5-dione is CCC(CC)N1CC(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of 1-pentan-3-yl-3-phenylpiperazine-2,5-dione?
The InChIKey is GGYVBYLLBVBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12(4-2)17-10-13(18)16-14(15(17)19)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3,(H,16,18).
What are the key properties of 1-pentan-3-yl-3-phenylpiperazine-2,5-dione?
1-pentan-3-yl-3-phenylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64958214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).