(2-acetyloxyphenyl) 2-piperazin-1-ylacetate

C14H18N2O4 — CID 18423251

IUPAC(2-acetyloxyphenyl) 2-piperazin-1-ylacetate
SMILESCC(=O)Oc1ccccc1OC(=O)CN1CCNCC1
InChIInChI=1S/C14H18N2O4/c1-11(17)19-12-4-2-3-5-13(12)20-14(18)10-16-8-6-15-7-9-16/h2-5,15H,6-10H2,1H3
InChIKeyBQQIZPBPWABFMD-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.42
Rot. Bonds4

About (2-acetyloxyphenyl) 2-piperazin-1-ylacetate

(2-acetyloxyphenyl) 2-piperazin-1-ylacetate (PubChem CID 18423251) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2-acetyloxyphenyl) 2-piperazin-1-ylacetate.

Molecular Properties

Compound Name(2-acetyloxyphenyl) 2-piperazin-1-ylacetate
PubChem CID18423251
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2-acetyloxyphenyl) 2-piperazin-1-ylacetate
SMILESCC(=O)Oc1ccccc1OC(=O)CN1CCNCC1
InChIInChI=1S/C14H18N2O4/c1-11(17)19-12-4-2-3-5-13(12)20-14(18)10-16-8-6-15-7-9-16/h2-5,15H,6-10H2,1H3
InChIKeyBQQIZPBPWABFMD-UHFFFAOYSA-N
XLogP0.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-acetyloxyphenyl) 2-piperazin-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methyl-5-(methylamino)phenyl] 2-piperazin-1-ylacetate
CID 126488967
[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
CID 171293547
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171183530
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
[2-methoxy-4-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate
CID 171280951
[4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171189215
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171307016
[2-methoxy-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenyl] acetate;dihydrochloride
CID 171310370
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
(2-acetyloxyphenyl) 5-methylhexanoate
CID 90024493

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxyphenyl) 2-piperazin-1-ylacetate?
The IUPAC name of (2-acetyloxyphenyl) 2-piperazin-1-ylacetate (CID 18423251) is (2-acetyloxyphenyl) 2-piperazin-1-ylacetate.
What is the SMILES notation for (2-acetyloxyphenyl) 2-piperazin-1-ylacetate?
The canonical SMILES for (2-acetyloxyphenyl) 2-piperazin-1-ylacetate is CC(=O)Oc1ccccc1OC(=O)CN1CCNCC1.
What is the InChIKey of (2-acetyloxyphenyl) 2-piperazin-1-ylacetate?
The InChIKey is BQQIZPBPWABFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-11(17)19-12-4-2-3-5-13(12)20-14(18)10-16-8-6-15-7-9-16/h2-5,15H,6-10H2,1H3.
What are the key properties of (2-acetyloxyphenyl) 2-piperazin-1-ylacetate?
(2-acetyloxyphenyl) 2-piperazin-1-ylacetate has a molecular weight of 278.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxyphenyl) 2-piperazin-1-ylacetate is sourced from PubChem (CID 18423251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).