2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

C21H32N2O3 — CID 55330434

IUPAC2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)CC3CCCCC3)CC2)c1
InChIInChI=1S/C21H32N2O3/c1-25-19-8-9-20(26-2)18(15-19)16-22-10-12-23(13-11-22)21(24)14-17-6-4-3-5-7-17/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyQZQMYRWMLADQFB-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.32
Rot. Bonds6

About 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 55330434) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID55330434
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)CC3CCCCC3)CC2)c1
InChIInChI=1S/C21H32N2O3/c1-25-19-8-9-20(26-2)18(15-19)16-22-10-12-23(13-11-22)21(24)14-17-6-4-3-5-7-17/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyQZQMYRWMLADQFB-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 51144911
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 119829620
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
2-(4-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17385092
3-(2-chlorophenyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 37350811
N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55347503
(3aR,7aR)-2-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51577256
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 55330434) is 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccc(OC)c(CN2CCN(C(=O)CC3CCCCC3)CC2)c1.
What is the InChIKey of 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is QZQMYRWMLADQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-19-8-9-20(26-2)18(15-19)16-22-10-12-23(13-11-22)21(24)14-17-6-4-3-5-7-17/h8-9,15,17H,3-7,10-14,16H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 360.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55330434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).