1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione

C15H18ClFN2O2 — CID 64962881

IUPAC1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C15H18ClFN2O2/c1-4-15(5-2)14(21)19(9(3)13(20)18-15)10-6-7-12(17)11(16)8-10/h6-9H,4-5H2,1-3H3,(H,18,20)
InChIKeyHQTAIYPFCWMAQJ-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione

1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione (PubChem CID 64962881) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
PubChem CID64962881
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C15H18ClFN2O2/c1-4-15(5-2)14(21)19(9(3)13(20)18-15)10-6-7-12(17)11(16)8-10/h6-9H,4-5H2,1-3H3,(H,18,20)
InChIKeyHQTAIYPFCWMAQJ-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nbd-556
CID 1570601
N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 4880320
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 5305509

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione (CID 64962881) is 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The InChIKey is HQTAIYPFCWMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-4-15(5-2)14(21)19(9(3)13(20)18-15)10-6-7-12(17)11(16)8-10/h6-9H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione has a molecular weight of 312.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64962881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).