1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one

C21H24N2O3 — CID 110799885

IUPAC1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-2-20(24)22-12-14-23(15-13-22)21(25)16-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyZHIDIMDVZAKQJP-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one

1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 110799885) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID110799885
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-2-20(24)22-12-14-23(15-13-22)21(25)16-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyZHIDIMDVZAKQJP-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110800125
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
methyl 4-[2-(4-phenoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808860
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-(4-acetylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methylsulfinyl]ethanone
CID 11668471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one (CID 110799885) is 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is ZHIDIMDVZAKQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-20(24)22-12-14-23(15-13-22)21(25)16-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110799885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).