cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone

C24H26N2O3 — CID 24736139

IUPACcyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1-c1ccc2oc(CN3CCN(C(=O)C4CC4)CC3)cc2c1
InChIInChI=1S/C24H26N2O3/c1-28-23-5-3-2-4-21(23)18-8-9-22-19(14-18)15-20(29-22)16-25-10-12-26(13-11-25)24(27)17-6-7-17/h2-5,8-9,14-15,17H,6-7,10-13,16H2,1H3
InChIKeyGJCTXUWOZUYXPU-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.16
Rot. Bonds5

About cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 24736139) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID24736139
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namecyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1-c1ccc2oc(CN3CCN(C(=O)C4CC4)CC3)cc2c1
InChIInChI=1S/C24H26N2O3/c1-28-23-5-3-2-4-21(23)18-8-9-22-19(14-18)15-20(29-22)16-25-10-12-26(13-11-25)24(27)17-6-7-17/h2-5,8-9,14-15,17H,6-7,10-13,16H2,1H3
InChIKeyGJCTXUWOZUYXPU-UHFFFAOYSA-N
XLogP4.16
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 24737245
1-(4-methoxyphenyl)-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736156
1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine
CID 24736162
ethyl 2-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 24736149
cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
CID 24736208
4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 24736160
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
CID 24736200
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
(4-benzylpiperazin-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 1096570

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone (CID 24736139) is cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone is COc1ccccc1-c1ccc2oc(CN3CCN(C(=O)C4CC4)CC3)cc2c1.
What is the InChIKey of cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is GJCTXUWOZUYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-23-5-3-2-4-21(23)18-8-9-22-19(14-18)15-20(29-22)16-25-10-12-26(13-11-25)24(27)17-6-7-17/h2-5,8-9,14-15,17H,6-7,10-13,16H2,1H3.
What are the key properties of cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24736139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).