4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one

C14H16Cl2N2O2 — CID 63602232

IUPAC4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-2-12-14(20)17-6-7-18(12)13(19)8-9-10(15)4-3-5-11(9)16/h3-5,12H,2,6-8H2,1H3,(H,17,20)
InChIKeyRIDOIQVRDPSKIG-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.27
Rot. Bonds3

About 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one

4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one (PubChem CID 63602232) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
PubChem CID63602232
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-2-12-14(20)17-6-7-18(12)13(19)8-9-10(15)4-3-5-11(9)16/h3-5,12H,2,6-8H2,1H3,(H,17,20)
InChIKeyRIDOIQVRDPSKIG-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
4-[3-(2,3-dichlorophenyl)prop-2-enoyl]-3-ethylpiperazin-2-one
CID 77000404
4-[2-(4-chlorophenyl)sulfanylacetyl]-3-ethylpiperazin-2-one
CID 63601860
4-[3-(3-chloro-4-methylphenyl)propanoyl]-3-ethylpiperazin-2-one
CID 63601524
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one
CID 63600667
decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17179058

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one (CID 63602232) is 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one?
The InChIKey is RIDOIQVRDPSKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-12-14(20)17-6-7-18(12)13(19)8-9-10(15)4-3-5-11(9)16/h3-5,12H,2,6-8H2,1H3,(H,17,20).
What are the key properties of 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one?
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one has a molecular weight of 315.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63602232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).