6-piperidin-1-yl-1-benzofuran-3-one

C13H15NO2 — CID 59706016

IUPAC6-piperidin-1-yl-1-benzofuran-3-one
SMILESO=C1COc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C13H15NO2/c15-12-9-16-13-8-10(4-5-11(12)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyRTHPJKLPYFQKCZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.25
Rot. Bonds1

About 6-piperidin-1-yl-1-benzofuran-3-one

6-piperidin-1-yl-1-benzofuran-3-one (PubChem CID 59706016) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-piperidin-1-yl-1-benzofuran-3-one.

Molecular Properties

Compound Name6-piperidin-1-yl-1-benzofuran-3-one
PubChem CID59706016
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6-piperidin-1-yl-1-benzofuran-3-one
SMILESO=C1COc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C13H15NO2/c15-12-9-16-13-8-10(4-5-11(12)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyRTHPJKLPYFQKCZ-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
(7E)-7-[(4-piperidin-1-ylphenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602406
6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
CID 13179501
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-one
CID 61398920
1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 71530997
7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39163399
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 175743127
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
5-amino-1-benzofuran-3-one
CID 51138323
6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one
CID 107077914

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-1-benzofuran-3-one?
The IUPAC name of 6-piperidin-1-yl-1-benzofuran-3-one (CID 59706016) is 6-piperidin-1-yl-1-benzofuran-3-one.
What is the SMILES notation for 6-piperidin-1-yl-1-benzofuran-3-one?
The canonical SMILES for 6-piperidin-1-yl-1-benzofuran-3-one is O=C1COc2cc(N3CCCCC3)ccc21.
What is the InChIKey of 6-piperidin-1-yl-1-benzofuran-3-one?
The InChIKey is RTHPJKLPYFQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-9-16-13-8-10(4-5-11(12)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 6-piperidin-1-yl-1-benzofuran-3-one?
6-piperidin-1-yl-1-benzofuran-3-one has a molecular weight of 217.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-1-benzofuran-3-one is sourced from PubChem (CID 59706016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).