[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate

C21H23N3O5 — CID 55443494

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1O
InChIInChI=1S/C21H23N3O5/c1-15-6-5-9-17(19(15)26)20(27)29-14-18(25)23-10-12-24(13-11-23)21(28)22-16-7-3-2-4-8-16/h2-9,26H,10-14H2,1H3,(H,22,28)
InChIKeyJXUSLNHWNQKAPA-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.23
Rot. Bonds4

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 55443494) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
PubChem CID55443494
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1O
InChIInChI=1S/C21H23N3O5/c1-15-6-5-9-17(19(15)26)20(27)29-14-18(25)23-10-12-24(13-11-23)21(28)22-16-7-3-2-4-8-16/h2-9,26H,10-14H2,1H3,(H,22,28)
InChIKeyJXUSLNHWNQKAPA-UHFFFAOYSA-N
XLogP2.23
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
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[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
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[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
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CID 2391518
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840667
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[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
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CID 31803292
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27728272
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate (CID 55443494) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1O.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is JXUSLNHWNQKAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-15-6-5-9-17(19(15)26)20(27)29-14-18(25)23-10-12-24(13-11-23)21(28)22-16-7-3-2-4-8-16/h2-9,26H,10-14H2,1H3,(H,22,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 397.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 55443494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).