1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone

C21H26N2O4 — CID 22264488

IUPAC1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-25-18-12-19(26-2)14-20(13-18)27-16-21(24)23-10-8-22(9-11-23)15-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15-16H2,1-2H3
InChIKeyHBVVRDUKXQTZSV-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.43
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone

1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone (PubChem CID 22264488) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
PubChem CID22264488
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-25-18-12-19(26-2)14-20(13-18)27-16-21(24)23-10-8-22(9-11-23)15-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15-16H2,1-2H3
InChIKeyHBVVRDUKXQTZSV-UHFFFAOYSA-N
XLogP2.43
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-(4-benzylpiperazin-1-yl)-2-(3-pentoxyphenoxy)ethanone
CID 4733260
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878289
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43908594
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
N-benzyl-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 3667650
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone (CID 22264488) is 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone is COc1cc(OC)cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone?
The InChIKey is HBVVRDUKXQTZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-12-19(26-2)14-20(13-18)27-16-21(24)23-10-8-22(9-11-23)15-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15-16H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone has a molecular weight of 370.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 22264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).