3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one

C22H28N2O2 — CID 113076206

IUPAC3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18(2)19-8-10-20(11-9-19)23-13-15-24(16-14-23)22(25)12-17-26-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3
InChIKeyFHKMHHVTZOYDOJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.93
Rot. Bonds6

About 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one

3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 113076206) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
PubChem CID113076206
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18(2)19-8-10-20(11-9-19)23-13-15-24(16-14-23)22(25)12-17-26-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3
InChIKeyFHKMHHVTZOYDOJ-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113078078
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one (CID 113076206) is 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one is CC(C)c1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is FHKMHHVTZOYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(2)19-8-10-20(11-9-19)23-13-15-24(16-14-23)22(25)12-17-26-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one?
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113076206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).