3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione

C14H15FN2O2 — CID 64969701

IUPAC3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
SMILESCc1cc(N2CC(=O)NC(C3CC3)C2=O)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8-6-10(4-5-11(8)15)17-7-12(18)16-13(14(17)19)9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H,16,18)
InChIKeyOQTPNQFCNHQZEM-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.38
Rot. Bonds2

About 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione

3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione (PubChem CID 64969701) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
PubChem CID64969701
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
SMILESCc1cc(N2CC(=O)NC(C3CC3)C2=O)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8-6-10(4-5-11(8)15)17-7-12(18)16-13(14(17)19)9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H,16,18)
InChIKeyOQTPNQFCNHQZEM-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969795
1-(3-chloro-4-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64961674
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 107531619

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione (CID 64969701) is 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione is Cc1cc(N2CC(=O)NC(C3CC3)C2=O)ccc1F.
What is the InChIKey of 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione?
The InChIKey is OQTPNQFCNHQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-6-10(4-5-11(8)15)17-7-12(18)16-13(14(17)19)9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione?
3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione has a molecular weight of 262.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64969701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).