1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one

C22H25ClN2O4 — CID 108534693

IUPAC1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O4/c1-16(29-20-9-7-19(26)8-10-20)22(28)25-14-12-24(13-15-25)21(27)11-4-17-2-5-18(23)6-3-17/h2-3,5-10,16,26H,4,11-15H2,1H3
InChIKeyMHHAWRBNIQWOFH-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.12
Rot. Bonds6

About 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one

1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one (PubChem CID 108534693) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
PubChem CID108534693
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O4/c1-16(29-20-9-7-19(26)8-10-20)22(28)25-14-12-24(13-15-25)21(27)11-4-17-2-5-18(23)6-3-17/h2-3,5-10,16,26H,4,11-15H2,1H3
InChIKeyMHHAWRBNIQWOFH-UHFFFAOYSA-N
XLogP3.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one with MolForge

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Related Compounds

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
ethyl 4-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoate
CID 108568096
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108535916
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534665
2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535954
1-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534659
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685
3-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543306

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one (CID 108534693) is 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one is CC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
The InChIKey is MHHAWRBNIQWOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-16(29-20-9-7-19(26)8-10-20)22(28)25-14-12-24(13-15-25)21(27)11-4-17-2-5-18(23)6-3-17/h2-3,5-10,16,26H,4,11-15H2,1H3.
What are the key properties of 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one has a molecular weight of 416.91 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one is sourced from PubChem (CID 108534693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).