4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one

C13H14Cl2N2O2 — CID 64693041

IUPAC4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC(=O)c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-16-4-5-17(8-13(16)19)7-12(18)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3
InChIKeyYFEJGYIKPXRWKK-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.95
Rot. Bonds3

About 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one

4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one (PubChem CID 64693041) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
PubChem CID64693041
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC(=O)c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-16-4-5-17(8-13(16)19)7-12(18)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3
InChIKeyYFEJGYIKPXRWKK-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
1-(3,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223621
1-(3,4-dichlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025214
4-[2-(4-fluorophenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889587
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64694097
1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393620
4-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889619
1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025553
5,6-dichloro-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]isoindole-1,3-dione
CID 170861901

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one (CID 64693041) is 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one is CN1CCN(CC(=O)c2ccc(Cl)c(Cl)c2)CC1=O.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one?
The InChIKey is YFEJGYIKPXRWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-16-4-5-17(8-13(16)19)7-12(18)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one?
4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one has a molecular weight of 301.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64693041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).