1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione

C16H22N2O2 — CID 64966088

IUPAC1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)c2ccccc2C)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-7-14-16(20)18(10-15(19)17-14)12(3)13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7,10H2,1-3H3,(H,17,19)
InChIKeyXGSQEHVSCITSRS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione

1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64966088) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64966088
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)c2ccccc2C)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-7-14-16(20)18(10-15(19)17-14)12(3)13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7,10H2,1-3H3,(H,17,19)
InChIKeyXGSQEHVSCITSRS-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione (CID 64966088) is 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C(C)c2ccccc2C)C1=O.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is XGSQEHVSCITSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-7-14-16(20)18(10-15(19)17-14)12(3)13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7,10H2,1-3H3,(H,17,19).
What are the key properties of 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione?
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64966088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).