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

C23H27N3O2S — CID 10787677

IUPAC[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1)N1CCCCC1
InChIInChI=1S/C23H27N3O2S/c27-23(26-10-2-1-3-11-26)21-8-7-19(29-21)17-24-12-14-25(15-13-24)20-6-4-5-18-9-16-28-22(18)20/h4-9,16H,1-3,10-15,17H2
InChIKeyDWMODKKMMSDCPG-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.44
Rot. Bonds4

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

[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone (PubChem CID 10787677) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone
PubChem CID10787677
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1)N1CCCCC1
InChIInChI=1S/C23H27N3O2S/c27-23(26-10-2-1-3-11-26)21-8-7-19(29-21)17-24-12-14-25(15-13-24)20-6-4-5-18-9-16-28-22(18)20/h4-9,16H,1-3,10-15,17H2
InChIKeyDWMODKKMMSDCPG-UHFFFAOYSA-N
XLogP4.44
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone (CID 10787677) is [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone is O=C(c1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1)N1CCCCC1.
What is the InChIKey of [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is DWMODKKMMSDCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c27-23(26-10-2-1-3-11-26)21-8-7-19(29-21)17-24-12-14-25(15-13-24)20-6-4-5-18-9-16-28-22(18)20/h4-9,16H,1-3,10-15,17H2.
What are the key properties of [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone?
[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 409.56 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10787677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).