2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

C22H28N2O2 — CID 1360908

IUPAC2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-19-7-5-11-21(17-19)26-18-22(25)24-15-13-23(14-16-24)12-6-10-20-8-3-2-4-9-20/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3
InChIKeyDIHXTBYQBLISTO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.15
Rot. Bonds7

About 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone (PubChem CID 1360908) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
PubChem CID1360908
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-19-7-5-11-21(17-19)26-18-22(25)24-15-13-23(14-16-24)12-6-10-20-8-3-2-4-9-20/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3
InChIKeyDIHXTBYQBLISTO-UHFFFAOYSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
2-(3-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 2881898
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
3-methyl-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one;oxalic acid
CID 171154691
2-(3-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463181

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone (CID 1360908) is 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone is Cc1cccc(OCC(=O)N2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
The InChIKey is DIHXTBYQBLISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-19-7-5-11-21(17-19)26-18-22(25)24-15-13-23(14-16-24)12-6-10-20-8-3-2-4-9-20/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone?
2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1360908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).