2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one

C17H25ClN2O2 — CID 112765505

IUPAC2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CN1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)12-19-7-9-20(10-8-19)17(21)14(3)22-16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyJXODCGQLYODZBS-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one

2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 112765505) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID112765505
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CN1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)12-19-7-9-20(10-8-19)17(21)14(3)22-16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyJXODCGQLYODZBS-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
1-[(2S)-2-(3-chlorophenoxy)propanoyl]-4-(2-methylpropyl)-1,4-diazepan-5-one
CID 25364187
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566581
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51206927
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
1-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 2933143
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one (CID 112765505) is 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one is CC(C)CN1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is JXODCGQLYODZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(2)12-19-7-9-20(10-8-19)17(21)14(3)22-16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 324.85 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 112765505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).