methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate

C21H26N2O3 — CID 19433554

IUPACmethyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-25-20-11-7-6-10-19(20)23-14-12-22(13-15-23)16-18(21(24)26-2)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3
InChIKeyFYNUBNMUSBKPAY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.77
Rot. Bonds6

About methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate

methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate (PubChem CID 19433554) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
PubChem CID19433554
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namemethyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-25-20-11-7-6-10-19(20)23-14-12-22(13-15-23)16-18(21(24)26-2)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3
InChIKeyFYNUBNMUSBKPAY-UHFFFAOYSA-N
XLogP2.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate with MolForge

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide
CID 15296377
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate?
The IUPAC name of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate (CID 19433554) is methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate is COC(=O)C(CN1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate?
The InChIKey is FYNUBNMUSBKPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-20-11-7-6-10-19(20)23-14-12-22(13-15-23)16-18(21(24)26-2)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3.
What are the key properties of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate?
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate has a molecular weight of 354.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate is sourced from PubChem (CID 19433554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).