4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one

C14H16ClFN2O2 — CID 63362537

IUPAC4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O2/c1-14(2)13(20)17-6-7-18(14)12(19)8-9-10(15)4-3-5-11(9)16/h3-5H,6-8H2,1-2H3,(H,17,20)
InChIKeyOQCKGQKUQVZBCF-UHFFFAOYSA-N
MW298.74 g/mol
LogP1.76
Rot. Bonds2

About 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63362537) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63362537
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O2/c1-14(2)13(20)17-6-7-18(14)12(19)8-9-10(15)4-3-5-11(9)16/h3-5H,6-8H2,1-2H3,(H,17,20)
InChIKeyOQCKGQKUQVZBCF-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362347
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63361938
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63608438
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163305810
2-(2-chloro-6-fluorophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 39807762
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705208
4-(2-chloro-6-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63659145
4-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-3,3-dimethylpiperazin-2-one
CID 77000536
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one (CID 63362537) is 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is OQCKGQKUQVZBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-14(2)13(20)17-6-7-18(14)12(19)8-9-10(15)4-3-5-11(9)16/h3-5H,6-8H2,1-2H3,(H,17,20).
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 298.74 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).