1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C16H22N2O3 — CID 107851334

IUPAC1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCOc1cccc(CCN2C(=O)CNC(=O)C2C(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)15-16(20)17-10-14(19)18(15)8-7-12-5-4-6-13(9-12)21-3/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyPAIQDLQMJXFJBL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107851334) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107851334
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCOc1cccc(CCN2C(=O)CNC(=O)C2C(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)15-16(20)17-10-14(19)18(15)8-7-12-5-4-6-13(9-12)21-3/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyPAIQDLQMJXFJBL-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 107851334) is 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is COc1cccc(CCN2C(=O)CNC(=O)C2C(C)C)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PAIQDLQMJXFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)15-16(20)17-10-14(19)18(15)8-7-12-5-4-6-13(9-12)21-3/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107851334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).