ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate

C24H29ClN2O5 — CID 51644690

IUPACethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
SMILESCCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)c(OC)c2)CC1
InChIInChI=1S/C24H29ClN2O5/c1-4-31-20-11-8-18(16-21(20)30-3)23(28)27-14-12-26(13-15-27)22(24(29)32-5-2)17-6-9-19(25)10-7-17/h6-11,16,22H,4-5,12-15H2,1-3H3/t22-/m1/s1
InChIKeyYYIMFXMEVDDYMK-JOCHJYFZSA-N
MW460.96 g/mol
LogP3.81
Rot. Bonds8

About ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate

ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate (PubChem CID 51644690) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
PubChem CID51644690
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC Nameethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
SMILESCCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)c(OC)c2)CC1
InChIInChI=1S/C24H29ClN2O5/c1-4-31-20-11-8-18(16-21(20)30-3)23(28)27-14-12-26(13-15-27)22(24(29)32-5-2)17-6-9-19(25)10-7-17/h6-11,16,22H,4-5,12-15H2,1-3H3/t22-/m1/s1
InChIKeyYYIMFXMEVDDYMK-JOCHJYFZSA-N
XLogP3.81
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 24560560
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
ethyl (2S)-2-(4-chlorophenyl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]acetate
CID 30886557
methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 46553316
ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate
CID 24560547
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
methyl 2-(4-chlorophenyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetate
CID 46604586
ethyl 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 24560570
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
CID 24668308

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate (CID 51644690) is ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate is CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)c(OC)c2)CC1.
What is the InChIKey of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate?
The InChIKey is YYIMFXMEVDDYMK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-4-31-20-11-8-18(16-21(20)30-3)23(28)27-14-12-26(13-15-27)22(24(29)32-5-2)17-6-9-19(25)10-7-17/h6-11,16,22H,4-5,12-15H2,1-3H3/t22-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate?
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate has a molecular weight of 460.96 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 51644690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).