6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione

C15H17FN2O3 — CID 104795313

IUPAC6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1cccc(CN2C(=O)CNC(=O)C2C2CC2)c1F
InChIInChI=1S/C15H17FN2O3/c1-21-11-4-2-3-10(13(11)16)8-18-12(19)7-17-15(20)14(18)9-5-6-9/h2-4,9,14H,5-8H2,1H3,(H,17,20)
InChIKeyYKSITVZDZADUJW-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.07
Rot. Bonds4

About 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione

6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 104795313) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID104795313
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1cccc(CN2C(=O)CNC(=O)C2C2CC2)c1F
InChIInChI=1S/C15H17FN2O3/c1-21-11-4-2-3-10(13(11)16)8-18-12(19)7-17-15(20)14(18)9-5-6-9/h2-4,9,14H,5-8H2,1H3,(H,17,20)
InChIKeyYKSITVZDZADUJW-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 104794567
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 104795317
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64878730
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione
CID 69080200
3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453904
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione (CID 104795313) is 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione is COc1cccc(CN2C(=O)CNC(=O)C2C2CC2)c1F.
What is the InChIKey of 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is YKSITVZDZADUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-21-11-4-2-3-10(13(11)16)8-18-12(19)7-17-15(20)14(18)9-5-6-9/h2-4,9,14H,5-8H2,1H3,(H,17,20).
What are the key properties of 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione?
6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 292.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 104795313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).