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

C16H21FN2O2 — CID 64902761

IUPAC6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C16H21FN2O2/c1-5-16(4)13(20)18-15(2,3)14(21)19(16)10-11-8-6-7-9-12(11)17/h6-9H,5,10H2,1-4H3,(H,18,20)
InChIKeyPZCSGWQAWHHZDX-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.23
Rot. Bonds3

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

6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64902761) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64902761
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C16H21FN2O2/c1-5-16(4)13(20)18-15(2,3)14(21)19(16)10-11-8-6-7-9-12(11)17/h6-9H,5,10H2,1-4H3,(H,18,20)
InChIKeyPZCSGWQAWHHZDX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871729
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
1-[(2,3-difluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64873317
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530
6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64902381
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 112654479
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64848517
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874307
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880374

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione (CID 64902761) is 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C)(C)C(=O)N1Cc1ccccc1F.
What is the InChIKey of 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is PZCSGWQAWHHZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-5-16(4)13(20)18-15(2,3)14(21)19(16)10-11-8-6-7-9-12(11)17/h6-9H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64902761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).