4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one

C18H16Cl2N2O3 — CID 110656825

IUPAC4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)COc2ccc(Cl)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c19-13-4-6-15(7-5-13)25-11-16(23)22-9-8-21-18(24)17(22)12-2-1-3-14(20)10-12/h1-7,10,17H,8-9,11H2,(H,21,24)
InChIKeyTZQJFOGMQKBYKO-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.07
Rot. Bonds4

About 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one

4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one (PubChem CID 110656825) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
PubChem CID110656825
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)COc2ccc(Cl)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c19-13-4-6-15(7-5-13)25-11-16(23)22-9-8-21-18(24)17(22)12-2-1-3-14(20)10-12/h1-7,10,17H,8-9,11H2,(H,21,24)
InChIKeyTZQJFOGMQKBYKO-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
CID 110644775
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one (CID 110656825) is 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one is O=C1NCCN(C(=O)COc2ccc(Cl)cc2)C1c1cccc(Cl)c1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one?
The InChIKey is TZQJFOGMQKBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-13-4-6-15(7-5-13)25-11-16(23)22-9-8-21-18(24)17(22)12-2-1-3-14(20)10-12/h1-7,10,17H,8-9,11H2,(H,21,24).
What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one?
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one has a molecular weight of 379.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 110656825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).