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

C16H21FN2O2 — CID 64965949

IUPAC1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C(C)c2cccc(F)c2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-9(2)14-15(20)18-10(3)16(21)19(14)11(4)12-6-5-7-13(17)8-12/h5-11,14H,1-4H3,(H,18,20)
InChIKeyDUFUDNWXSPZIHV-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.26
Rot. Bonds3

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

1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64965949) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64965949
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C(C)c2cccc(F)c2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-9(2)14-15(20)18-10(3)16(21)19(14)11(4)12-6-5-7-13(17)8-12/h5-11,14H,1-4H3,(H,18,20)
InChIKeyDUFUDNWXSPZIHV-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965003
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045
1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967227
1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958037
(4S,7S,14Z)-6-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methyl-7-propan-2-yl-1,12-dioxa-3,6,9-triazacyclohexadec-14-ene-2,5,8,11-tetrone
CID 101233842
2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one
CID 141211060
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932
1-(3-chloro-5-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 107370915
3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959566
1-(1-cyclohexylethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64969249
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64965949) is 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(C(C)c2cccc(F)c2)C1=O.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DUFUDNWXSPZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9(2)14-15(20)18-10(3)16(21)19(14)11(4)12-6-5-7-13(17)8-12/h5-11,14H,1-4H3,(H,18,20).
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.26, 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-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64965949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).