2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide

C15H19ClFN3O2 — CID 95725923

IUPAC2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFN3O2/c1-19(2)14(21)8-13-15(22)18-6-7-20(13)9-10-11(16)4-3-5-12(10)17/h3-5,13H,6-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyJWFXABOODIYXOG-ZDUSSCGKSA-N
MW327.79 g/mol
LogP1.26
Rot. Bonds4

About 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide

2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide (PubChem CID 95725923) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide
PubChem CID95725923
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFN3O2/c1-19(2)14(21)8-13-15(22)18-6-7-20(13)9-10-11(16)4-3-5-12(10)17/h3-5,13H,6-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyJWFXABOODIYXOG-ZDUSSCGKSA-N
XLogP1.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56902461
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 56885861
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723596
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cycloheptylacetamide
CID 42381747
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methylsulfanylpropyl)acetamide
CID 45192706
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 42243912
2-[1-[(2,6-dichlorophenyl)methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 2806020
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 45171713
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenoxyethyl)acetamide
CID 45223185
2-[(2S)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 42521563

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide (CID 95725923) is 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide?
The InChIKey is JWFXABOODIYXOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c1-19(2)14(21)8-13-15(22)18-6-7-20(13)9-10-11(16)4-3-5-12(10)17/h3-5,13H,6-9H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide?
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide has a molecular weight of 327.79 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95725923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).