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

C23H28N2O5 — CID 8842529

IUPAC[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H28N2O5/c1-3-16-29-19-10-8-18(9-11-19)23(27)30-17-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)28-2/h4-11H,3,12-17H2,1-2H3
InChIKeyBZJSEXLHKYFQNB-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.99
Rot. Bonds8

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

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate (PubChem CID 8842529) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
PubChem CID8842529
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H28N2O5/c1-3-16-29-19-10-8-18(9-11-19)23(27)30-17-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)28-2/h4-11H,3,12-17H2,1-2H3
InChIKeyBZJSEXLHKYFQNB-UHFFFAOYSA-N
XLogP2.99
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
CID 8842541
1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 2715491
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-3-carboxylate
CID 26985539
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201324
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201217
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808332
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-methoxybenzoate
CID 9011210
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate (CID 8842529) is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is BZJSEXLHKYFQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-16-29-19-10-8-18(9-11-19)23(27)30-17-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)28-2/h4-11H,3,12-17H2,1-2H3.
What are the key properties of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate?
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 412.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 8842529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).