1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one

C23H28N2O4 — CID 48866992

IUPAC1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCOc1ccccc1OCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-2-28-20-10-6-7-11-21(20)29-18-23(27)25-16-14-24(15-17-25)22(26)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyCCAQDRHEMPGJTA-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.77
Rot. Bonds8

About 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one

1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 48866992) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID48866992
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCOc1ccccc1OCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-2-28-20-10-6-7-11-21(20)29-18-23(27)25-16-14-24(15-17-25)22(26)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyCCAQDRHEMPGJTA-UHFFFAOYSA-N
XLogP2.77
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
3-(4-ethoxy-3-methoxyphenyl)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547719
2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568641
2-(4-chlorophenyl)-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568635
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 7539470
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 48866992) is 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one is CCOc1ccccc1OCC(=O)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CCAQDRHEMPGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-28-20-10-6-7-11-21(20)29-18-23(27)25-16-14-24(15-17-25)22(26)13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3.
What are the key properties of 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 48866992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).