3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

C22H26N2O3 — CID 177381139

IUPAC3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESCOc1ccccc1N1CCN(CCCC2OC(=O)c3ccccc32)CC1
InChIInChI=1S/C22H26N2O3/c1-26-21-10-5-4-9-19(21)24-15-13-23(14-16-24)12-6-11-20-17-7-2-3-8-18(17)22(25)27-20/h2-5,7-10,20H,6,11-16H2,1H3
InChIKeyMMOKPZMTCADZIF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.51
Rot. Bonds6

About 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (PubChem CID 177381139) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
PubChem CID177381139
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESCOc1ccccc1N1CCN(CCCC2OC(=O)c3ccccc32)CC1
InChIInChI=1S/C22H26N2O3/c1-26-21-10-5-4-9-19(21)24-15-13-23(14-16-24)12-6-11-20-17-7-2-3-8-18(17)22(25)27-20/h2-5,7-10,20H,6,11-16H2,1H3
InChIKeyMMOKPZMTCADZIF-UHFFFAOYSA-N
XLogP3.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one
CID 19811491
(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 95035159
5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one
CID 70905609
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811467
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[3-[4-(4-methylbenzoyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381148
3-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381154
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2H-1,3-benzoxazin-4-one;dihydrochloride
CID 139612892
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]isoindole-1,3-dione
CID 19972356
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (CID 177381139) is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is COc1ccccc1N1CCN(CCCC2OC(=O)c3ccccc32)CC1.
What is the InChIKey of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The InChIKey is MMOKPZMTCADZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-21-10-5-4-9-19(21)24-15-13-23(14-16-24)12-6-11-20-17-7-2-3-8-18(17)22(25)27-20/h2-5,7-10,20H,6,11-16H2,1H3.
What are the key properties of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one has a molecular weight of 366.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 177381139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).