[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate

C23H28N2O4 — CID 71820790

IUPAC[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-3-19(18-9-5-4-6-10-18)23(27)29-17-22(26)25-15-13-24(14-16-25)20-11-7-8-12-21(20)28-2/h4-12,19H,3,13-17H2,1-2H3
InChIKeyYIHMGBVULWYMFN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.08
Rot. Bonds7

About [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate (PubChem CID 71820790) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
PubChem CID71820790
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-3-19(18-9-5-4-6-10-18)23(27)29-17-22(26)25-15-13-24(14-16-25)20-11-7-8-12-21(20)28-2/h4-12,19H,3,13-17H2,1-2H3
InChIKeyYIHMGBVULWYMFN-UHFFFAOYSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201217
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-3-carboxylate
CID 26985539
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
CID 8842529
N-butan-2-yl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159072

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate (CID 71820790) is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is YIHMGBVULWYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-19(18-9-5-4-6-10-18)23(27)29-17-22(26)25-15-13-24(14-16-25)20-11-7-8-12-21(20)28-2/h4-12,19H,3,13-17H2,1-2H3.
What are the key properties of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate?
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 396.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 71820790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).