methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate

C16H22N2O4 — CID 59447925

IUPACmethyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C[C@@H]2CNCCN2C(C)=O)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)18-8-7-17-10-14(18)9-13-3-5-15(6-4-13)22-11-16(20)21-2/h3-6,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyMGOVOFGXQSHMIO-CQSZACIVSA-N
MW306.36 g/mol
LogP0.60
Rot. Bonds5

About methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate

methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate (PubChem CID 59447925) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate
PubChem CID59447925
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C[C@@H]2CNCCN2C(C)=O)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)18-8-7-17-10-14(18)9-13-3-5-15(6-4-13)22-11-16(20)21-2/h3-6,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyMGOVOFGXQSHMIO-CQSZACIVSA-N
XLogP0.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate 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

methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
methyl 2-[4-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]phenoxy]acetate;dihydrochloride
CID 19602885
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 3-[2-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propanoate
CID 67626362
methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
CID 81118246
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate (CID 59447925) is methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate is COC(=O)COc1ccc(C[C@@H]2CNCCN2C(C)=O)cc1.
What is the InChIKey of methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate?
The InChIKey is MGOVOFGXQSHMIO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)18-8-7-17-10-14(18)9-13-3-5-15(6-4-13)22-11-16(20)21-2/h3-6,14,17H,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate?
methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate has a molecular weight of 306.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 59447925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).