2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone

C25H26N2O3 — CID 2878469

IUPAC2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C25H26N2O3/c28-25(20-29-22-9-3-1-4-10-22)27-16-14-26(15-17-27)19-21-8-7-13-24(18-21)30-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2
InChIKeyVMMWWFGDCYWZJX-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.20
Rot. Bonds7

About 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone

2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 2878469) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID2878469
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C25H26N2O3/c28-25(20-29-22-9-3-1-4-10-22)27-16-14-26(15-17-27)19-21-8-7-13-24(18-21)30-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2
InChIKeyVMMWWFGDCYWZJX-UHFFFAOYSA-N
XLogP4.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenoxyethanone
CID 1112885
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
1-(4-benzylpiperazin-1-yl)-2-(3-pentoxyphenoxy)ethanone
CID 4733260
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 2878469) is 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is VMMWWFGDCYWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-25(20-29-22-9-3-1-4-10-22)27-16-14-26(15-17-27)19-21-8-7-13-24(18-21)30-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2.
What are the key properties of 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 402.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 2878469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).