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

C19H19ClN2O4 — CID 110644941

IUPAC4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-25-15-6-2-13(3-7-15)18-19(24)21-10-11-22(18)17(23)12-26-16-8-4-14(20)5-9-16/h2-9,18H,10-12H2,1H3,(H,21,24)
InChIKeyGTLKTHVYQGOZBK-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.43
Rot. Bonds5

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

4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one (PubChem CID 110644941) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
PubChem CID110644941
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-25-15-6-2-13(3-7-15)18-19(24)21-10-11-22(18)17(23)12-26-16-8-4-14(20)5-9-16/h2-9,18H,10-12H2,1H3,(H,21,24)
InChIKeyGTLKTHVYQGOZBK-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
CID 110644775
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
CID 110420415
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909
4-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644969
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one (CID 110644941) is 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one is COc1ccc(C2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
The InChIKey is GTLKTHVYQGOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-15-6-2-13(3-7-15)18-19(24)21-10-11-22(18)17(23)12-26-16-8-4-14(20)5-9-16/h2-9,18H,10-12H2,1H3,(H,21,24).
What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one?
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one has a molecular weight of 374.82 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 110644941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).