2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone

C26H30N2O3 — CID 21126055

IUPAC2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone
SMILESO=C(CN1CCCCC1)c1ccc2oc3ccccc3c2c1C(=O)CN1CCCCC1
InChIInChI=1S/C26H30N2O3/c29-21(17-27-13-5-1-6-14-27)19-11-12-24-26(20-9-3-4-10-23(20)31-24)25(19)22(30)18-28-15-7-2-8-16-28/h3-4,9-12H,1-2,5-8,13-18H2
InChIKeyGTHKITUIXADLNB-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.92
Rot. Bonds6

About 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone

2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone (PubChem CID 21126055) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone
PubChem CID21126055
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone
SMILESO=C(CN1CCCCC1)c1ccc2oc3ccccc3c2c1C(=O)CN1CCCCC1
InChIInChI=1S/C26H30N2O3/c29-21(17-27-13-5-1-6-14-27)19-11-12-24-26(20-9-3-4-10-23(20)31-24)25(19)22(30)18-28-15-7-2-8-16-28/h3-4,9-12H,1-2,5-8,13-18H2
InChIKeyGTHKITUIXADLNB-UHFFFAOYSA-N
XLogP4.92
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-yl-1-[8-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone;dihydrate;dihydrochloride
CID 21327084
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1-[2-[(4-ethoxyphenyl)methyl]-1-benzofuran-3-yl]-2-pyrrolidin-1-ylethanone;hydrochloride
CID 158957752
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 6603145
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
dimethyl dibenzofuran-1,2-dicarboxylate
CID 18366725
1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 70553690
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533
1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone?
The IUPAC name of 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone (CID 21126055) is 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone is O=C(CN1CCCCC1)c1ccc2oc3ccccc3c2c1C(=O)CN1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone?
The InChIKey is GTHKITUIXADLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c29-21(17-27-13-5-1-6-14-27)19-11-12-24-26(20-9-3-4-10-23(20)31-24)25(19)22(30)18-28-15-7-2-8-16-28/h3-4,9-12H,1-2,5-8,13-18H2.
What are the key properties of 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone?
2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone has a molecular weight of 418.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-[1-(2-piperidin-1-ylacetyl)dibenzofuran-2-yl]ethanone is sourced from PubChem (CID 21126055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).