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

C15H19FN2O2 — CID 64966045

IUPAC1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C(C)c2cccc(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-9(2)14-15(20)18(8-13(19)17-14)10(3)11-5-4-6-12(16)7-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,19)
InChIKeyYNBAGRRLOXXAGY-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.87
Rot. Bonds3

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

1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64966045) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64966045
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C(C)c2cccc(F)c2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-9(2)14-15(20)18(8-13(19)17-14)10(3)11-5-4-6-12(16)7-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,19)
InChIKeyYNBAGRRLOXXAGY-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944485
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883
1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965949
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(2,4-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957903
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965620
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879364
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64966045) is 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(C(C)c2cccc(F)c2)C1=O.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YNBAGRRLOXXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)14-15(20)18(8-13(19)17-14)10(3)11-5-4-6-12(16)7-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,19).
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64966045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).