1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione

C14H17FN2O2 — CID 64961037

IUPAC1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-14(2)13(19)17(9-12(18)16-14)7-6-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyQRGPQDQAVQRTMO-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.11
Rot. Bonds3

About 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione

1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64961037) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione
PubChem CID64961037
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-14(2)13(19)17(9-12(18)16-14)7-6-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyQRGPQDQAVQRTMO-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione (CID 64961037) is 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)CN(CCc2cccc(F)c2)C1=O.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is QRGPQDQAVQRTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(2)13(19)17(9-12(18)16-14)7-6-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione?
1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64961037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).