1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone

C20H24N2O3 — CID 780106

IUPAC1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1cccc(CN2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-24-19-9-5-6-17(14-19)15-21-10-12-22(13-11-21)20(23)16-25-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyLFDYFJCCPYLTRS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.42
Rot. Bonds6

About 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 780106) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID780106
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1cccc(CN2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-24-19-9-5-6-17(14-19)15-21-10-12-22(13-11-21)20(23)16-25-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyLFDYFJCCPYLTRS-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056
2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
1-(4-benzylpiperazin-1-yl)-2-(3-pentoxyphenoxy)ethanone
CID 4733260
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-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-(4-chlorophenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366047

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone (CID 780106) is 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone is COc1cccc(CN2CCN(C(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is LFDYFJCCPYLTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-9-5-6-17(14-19)15-21-10-12-22(13-11-21)20(23)16-25-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 340.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 780106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).