1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one

C23H27N3O2S — CID 10740276

IUPAC1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1
InChIInChI=1S/C23H27N3O2S/c27-22-6-1-2-10-26(22)17-20-8-7-19(29-20)16-24-11-13-25(14-12-24)21-5-3-4-18-9-15-28-23(18)21/h3-5,7-9,15H,1-2,6,10-14,16-17H2
InChIKeyHFSBIPAYKIUXKW-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.33
Rot. Bonds5

About 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one

1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one (PubChem CID 10740276) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
PubChem CID10740276
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1
InChIInChI=1S/C23H27N3O2S/c27-22-6-1-2-10-26(22)17-20-8-7-19(29-20)16-24-11-13-25(14-12-24)21-5-3-4-18-9-15-28-23(18)21/h3-5,7-9,15H,1-2,6,10-14,16-17H2
InChIKeyHFSBIPAYKIUXKW-UHFFFAOYSA-N
XLogP4.33
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one (CID 10740276) is 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one is O=C1CCCCN1Cc1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1.
What is the InChIKey of 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
The InChIKey is HFSBIPAYKIUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c27-22-6-1-2-10-26(22)17-20-8-7-19(29-20)16-24-11-13-25(14-12-24)21-5-3-4-18-9-15-28-23(18)21/h3-5,7-9,15H,1-2,6,10-14,16-17H2.
What are the key properties of 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one?
1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one has a molecular weight of 409.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 10740276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).