methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate

C15H22N2O3 — CID 47016293

IUPACmethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H22N2O3/c1-12(15(18)20-3)16-8-10-17(11-9-16)13-6-4-5-7-14(13)19-2/h4-7,12H,8-11H2,1-3H3
InChIKeyHUTYCLQCDFPFFS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate

methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate (PubChem CID 47016293) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
PubChem CID47016293
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H22N2O3/c1-12(15(18)20-3)16-8-10-17(11-9-16)13-6-4-5-7-14(13)19-2/h4-7,12H,8-11H2,1-3H3
InChIKeyHUTYCLQCDFPFFS-UHFFFAOYSA-N
XLogP1.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 17122032
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate (CID 47016293) is methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate is COC(=O)C(C)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
The InChIKey is HUTYCLQCDFPFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(15(18)20-3)16-8-10-17(11-9-16)13-6-4-5-7-14(13)19-2/h4-7,12H,8-11H2,1-3H3.
What are the key properties of methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 47016293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).