1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione

C16H20N2O3 — CID 79936892

IUPAC1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)Cc2ccccc2)CC1=O
InChIInChI=1S/C16H20N2O3/c1-2-8-17-11-16(21)18(12-15(17)20)10-14(19)9-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyDIMQNAZOKHEIOF-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.88
Rot. Bonds6

About 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione

1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione (PubChem CID 79936892) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione
PubChem CID79936892
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)Cc2ccccc2)CC1=O
InChIInChI=1S/C16H20N2O3/c1-2-8-17-11-16(21)18(12-15(17)20)10-14(19)9-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyDIMQNAZOKHEIOF-UHFFFAOYSA-N
XLogP0.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
CID 79941384
methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79936130
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
4-(2,5-dioxo-4-propylpiperazin-1-yl)-3-methylbut-2-enoic acid
CID 79936010
1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione
CID 79936681
3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
CID 63800154
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
1,3-diphenyl(213C)propan-2-one
CID 100945080
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941944

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione (CID 79936892) is 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC(=O)Cc2ccccc2)CC1=O.
What is the InChIKey of 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione?
The InChIKey is DIMQNAZOKHEIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-8-17-11-16(21)18(12-15(17)20)10-14(19)9-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione?
1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79936892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).