2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone

C21H23ClN2O2 — CID 90566753

IUPAC2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c22-17-6-10-19(11-7-17)26-15-21(25)24-13-12-23(18-8-9-18)14-20(24)16-4-2-1-3-5-16/h1-7,10-11,18,20H,8-9,12-15H2
InChIKeyLTKGYERESOELOV-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone

2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone (PubChem CID 90566753) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
PubChem CID90566753
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c22-17-6-10-19(11-7-17)26-15-21(25)24-13-12-23(18-8-9-18)14-20(24)16-4-2-1-3-5-16/h1-7,10-11,18,20H,8-9,12-15H2
InChIKeyLTKGYERESOELOV-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 90566765
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
1-[2-(4-chlorophenoxy)acetyl]-5-phenylpyrrolidin-2-one
CID 2842960
(5R)-1-[2-(4-chlorophenoxy)acetyl]-5-phenylpyrrolidin-2-one
CID 779420
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
CID 71801336
1-benzyl-4-[2-(4-chlorophenoxy)acetyl]-3-phenylpiperazine-2-carbaldehyde
CID 174546595
2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740545
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone (CID 90566753) is 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone?
The InChIKey is LTKGYERESOELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-6-10-19(11-7-17)26-15-21(25)24-13-12-23(18-8-9-18)14-20(24)16-4-2-1-3-5-16/h1-7,10-11,18,20H,8-9,12-15H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone has a molecular weight of 370.88 g/mol, XLogP of 3.77, 5 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-cyclopropyl-2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 90566753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).