[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C20H21ClN2O4 — CID 9347818

IUPAC[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3Cl)CC2)c1O
InChIInChI=1S/C20H21ClN2O4/c1-14-5-4-6-15(19(14)25)20(26)27-13-18(24)23-11-9-22(10-12-23)17-8-3-2-7-16(17)21/h2-8,25H,9-13H2,1H3
InChIKeyBYCNUWPPLZAXGS-UHFFFAOYSA-N
MW388.85 g/mol
LogP2.86
Rot. Bonds4

About [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 9347818) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID9347818
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3Cl)CC2)c1O
InChIInChI=1S/C20H21ClN2O4/c1-14-5-4-6-15(19(14)25)20(26)27-13-18(24)23-11-9-22(10-12-23)17-8-3-2-7-16(17)21/h2-8,25H,9-13H2,1H3
InChIKeyBYCNUWPPLZAXGS-UHFFFAOYSA-N
XLogP2.86
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7840448
[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841052
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
CID 55443494
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
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[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228798
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840667
[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 8808717
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 55400349
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 55475347
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2645934
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
CID 113080764

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 9347818) is [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3Cl)CC2)c1O.
What is the InChIKey of [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is BYCNUWPPLZAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14-5-4-6-15(19(14)25)20(26)27-13-18(24)23-11-9-22(10-12-23)17-8-3-2-7-16(17)21/h2-8,25H,9-13H2,1H3.
What are the key properties of [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 388.85 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 9347818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).