1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C18H16N2O3 — CID 90618442

IUPAC1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3cccnc3)C2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c21-16(13-5-3-9-19-11-13)20-10-4-8-18(12-20)15-7-2-1-6-14(15)17(22)23-18/h1-3,5-7,9,11H,4,8,10,12H2
InChIKeyPPHPVVQICFKXEB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.38
Rot. Bonds1

About 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618442) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618442
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3cccnc3)C2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c21-16(13-5-3-9-19-11-13)20-10-4-8-18(12-20)15-7-2-1-6-14(15)17(22)23-18/h1-3,5-7,9,11H,4,8,10,12H2
InChIKeyPPHPVVQICFKXEB-UHFFFAOYSA-N
XLogP2.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618618
(3R)-1'-(1-pyridin-3-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662503
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-(1-methyl-6-oxopyridazine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 72719224
1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 72996845
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618442) is 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)c3cccnc3)C2)c2ccccc21.
What is the InChIKey of 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is PPHPVVQICFKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-16(13-5-3-9-19-11-13)20-10-4-8-18(12-20)15-7-2-1-6-14(15)17(22)23-18/h1-3,5-7,9,11H,4,8,10,12H2.
What are the key properties of 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 308.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).