ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate

C22H23ClN6O3 — CID 24668308

IUPACethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2-n2cnnn2)CC1
InChIInChI=1S/C22H23ClN6O3/c1-2-32-22(31)20(16-7-9-17(23)10-8-16)27-11-13-28(14-12-27)21(30)18-5-3-4-6-19(18)29-15-24-25-26-29/h3-10,15,20H,2,11-14H2,1H3
InChIKeyXLCOEZHSMFRYQP-UHFFFAOYSA-N
MW454.92 g/mol
LogP2.38
Rot. Bonds6

About ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate

ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate (PubChem CID 24668308) has the molecular formula C22H23ClN6O3 and a molecular weight of 454.92 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
PubChem CID24668308
Molecular FormulaC22H23ClN6O3
Molecular Weight454.92 g/mol
Exact Mass454.15
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2-n2cnnn2)CC1
InChIInChI=1S/C22H23ClN6O3/c1-2-32-22(31)20(16-7-9-17(23)10-8-16)27-11-13-28(14-12-27)21(30)18-5-3-4-6-19(18)29-15-24-25-26-29/h3-10,15,20H,2,11-14H2,1H3
InChIKeyXLCOEZHSMFRYQP-UHFFFAOYSA-N
XLogP2.38
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
ethyl (2S)-2-(4-chlorophenyl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]acetate
CID 30886557
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
CID 46431394
ethyl 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 24560570
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate
CID 39976998
ethyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 24560560
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
CID 51644690
ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate
CID 24560547
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 120804243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate (CID 24668308) is ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate is CCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2-n2cnnn2)CC1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate?
The InChIKey is XLCOEZHSMFRYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O3/c1-2-32-22(31)20(16-7-9-17(23)10-8-16)27-11-13-28(14-12-27)21(30)18-5-3-4-6-19(18)29-15-24-25-26-29/h3-10,15,20H,2,11-14H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate?
ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate has a molecular weight of 454.92 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 24668308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).