1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone

C25H32N2O2 — CID 18456376

IUPAC1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
SMILESO=C(Cc1ccccc1OCc1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H32N2O2/c28-25(27-17-15-26(16-18-27)23-12-5-2-6-13-23)19-22-11-7-8-14-24(22)29-20-21-9-3-1-4-10-21/h1,3-4,7-11,14,23H,2,5-6,12-13,15-20H2
InChIKeyUZKPVSSYCRLNBD-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone

1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone (PubChem CID 18456376) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
PubChem CID18456376
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone
SMILESO=C(Cc1ccccc1OCc1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H32N2O2/c28-25(27-17-15-26(16-18-27)23-12-5-2-6-13-23)19-22-11-7-8-14-24(22)29-20-21-9-3-1-4-10-21/h1,3-4,7-11,14,23H,2,5-6,12-13,15-20H2
InChIKeyUZKPVSSYCRLNBD-UHFFFAOYSA-N
XLogP4.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 157011084
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 18456201
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 90651853
2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 12805065
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
(6R,11S)-11-hydroxy-8-[2-(2-phenylmethoxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 165419324
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone (CID 18456376) is 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone is O=C(Cc1ccccc1OCc1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone?
The InChIKey is UZKPVSSYCRLNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-25(27-17-15-26(16-18-27)23-12-5-2-6-13-23)19-22-11-7-8-14-24(22)29-20-21-9-3-1-4-10-21/h1,3-4,7-11,14,23H,2,5-6,12-13,15-20H2.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone?
1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone has a molecular weight of 392.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 18456376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).