2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

C20H23ClN2O2 — CID 55394367

IUPAC2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-18-10-8-17(21)9-11-18)20(24)23-13-12-22(2)14-19(23)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyIOJPHSHCUYSUEP-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (PubChem CID 55394367) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
PubChem CID55394367
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-18-10-8-17(21)9-11-18)20(24)23-13-12-22(2)14-19(23)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyIOJPHSHCUYSUEP-UHFFFAOYSA-N
XLogP3.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 129376778
(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 92582208
N-[1-(4-chlorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 42931935
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 106110999
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 37332784
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (CID 55394367) is 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is CC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is IOJPHSHCUYSUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(25-18-10-8-17(21)9-11-18)20(24)23-13-12-22(2)14-19(23)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 358.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 55394367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).