1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

C15H18ClFN2O2 — CID 115984519

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(Cc2cccc(F)c2Cl)C1=O
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)6-12-15(21)19(8-13(20)18-12)7-10-4-3-5-11(17)14(10)16/h3-5,9,12H,6-8H2,1-2H3,(H,18,20)
InChIKeyVHEZLFSNWUGURM-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 115984519) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID115984519
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(Cc2cccc(F)c2Cl)C1=O
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)6-12-15(21)19(8-13(20)18-12)7-10-4-3-5-11(17)14(10)16/h3-5,9,12H,6-8H2,1-2H3,(H,18,20)
InChIKeyVHEZLFSNWUGURM-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64969142
1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 65491574
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64880159
1-[(3-ethyl-2-pyridinyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 82749220
1-[(2-chloro-6-fluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880744
1-[(2,3-difluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880729
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967241
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 114934698
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879023
1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883946
(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604891

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (CID 115984519) is 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(Cc2cccc(F)c2Cl)C1=O.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VHEZLFSNWUGURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-9(2)6-12-15(21)19(8-13(20)18-12)7-10-4-3-5-11(17)14(10)16/h3-5,9,12H,6-8H2,1-2H3,(H,18,20).
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 312.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 115984519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).