[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate

C14H18N2O3 — CID 14033043

IUPAC[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
SMILESCN1CCN(C(=O)COC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-15-7-9-16(10-8-15)13(17)11-19-14(18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyACOIHUUAXXAGHS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.62
Rot. Bonds3

About [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate

[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate (PubChem CID 14033043) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
PubChem CID14033043
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
SMILESCN1CCN(C(=O)COC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-15-7-9-16(10-8-15)13(17)11-19-14(18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyACOIHUUAXXAGHS-UHFFFAOYSA-N
XLogP0.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 3,5-diaminobenzoate
CID 61323119
[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
CID 14033062
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] benzoate
CID 2365522
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 4-amino-3-fluorobenzoate
CID 62681347
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 27912347
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7789969
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7777030
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-phenylbenzoate
CID 2520536
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078989
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 65456589

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate (CID 14033043) is [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate is CN1CCN(C(=O)COC(=O)c2ccccc2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate?
The InChIKey is ACOIHUUAXXAGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-7-9-16(10-8-15)13(17)11-19-14(18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate?
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate has a molecular weight of 262.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).