[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate

C15H18N2O5 — CID 7789969

IUPAC[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate
SMILESCC(=O)N1CCN(C(=O)COC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H18N2O5/c1-11(18)16-5-7-17(8-6-16)14(20)10-22-15(21)12-3-2-4-13(19)9-12/h2-4,9,19H,5-8,10H2,1H3
InChIKeyZCVQTICFMWYTCO-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.24
Rot. Bonds3

About [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7789969) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7789969
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate
SMILESCC(=O)N1CCN(C(=O)COC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H18N2O5/c1-11(18)16-5-7-17(8-6-16)14(20)10-22-15(21)12-3-2-4-13(19)9-12/h2-4,9,19H,5-8,10H2,1H3
InChIKeyZCVQTICFMWYTCO-UHFFFAOYSA-N
XLogP0.24
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-nitrobenzoate
CID 7768777
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968028
[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 3-hydroxybenzoate
CID 16611221
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
CID 14033043
(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
CID 2418496
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7777030
(2-morpholin-4-yl-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836549
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(4-acetyloxyphenyl)benzoate
CID 7515162
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 3-hydroxybenzoate
CID 7483415

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate (CID 7789969) is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate is CC(=O)N1CCN(C(=O)COC(=O)c2cccc(O)c2)CC1.
What is the InChIKey of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is ZCVQTICFMWYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-11(18)16-5-7-17(8-6-16)14(20)10-22-15(21)12-3-2-4-13(19)9-12/h2-4,9,19H,5-8,10H2,1H3.
What are the key properties of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate?
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 306.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7789969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).