1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

C14H14ClFN2O2 — CID 64964941

IUPAC1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C14H14ClFN2O2/c1-14(8-2-3-8)13(20)18(7-12(19)17-14)9-4-5-10(15)11(16)6-9/h4-6,8H,2-3,7H2,1H3,(H,17,19)
InChIKeyGALDOOGJJYQIEE-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (PubChem CID 64964941) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
PubChem CID64964941
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C14H14ClFN2O2/c1-14(8-2-3-8)13(20)18(7-12(19)17-14)9-4-5-10(15)11(16)6-9/h4-6,8H,2-3,7H2,1H3,(H,17,19)
InChIKeyGALDOOGJJYQIEE-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (CID 64964941) is 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(c2ccc(Cl)c(F)c2)C1=O.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The InChIKey is GALDOOGJJYQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-14(8-2-3-8)13(20)18(7-12(19)17-14)9-4-5-10(15)11(16)6-9/h4-6,8H,2-3,7H2,1H3,(H,17,19).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione has a molecular weight of 296.73 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64964941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).