1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one

C24H28N2O5 — CID 110068883

IUPAC1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1
InChIInChI=1S/C24H28N2O5/c27-21-9-8-19(17-25-21)22(28)26-13-11-24(12-14-26)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,25,27)
InChIKeyIXIVSNQZBAWCIP-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.95
Rot. Bonds1

About 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one

1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one (PubChem CID 110068883) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one.

Molecular Properties

Compound Name1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
PubChem CID110068883
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1
InChIInChI=1S/C24H28N2O5/c27-21-9-8-19(17-25-21)22(28)26-13-11-24(12-14-26)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,25,27)
InChIKeyIXIVSNQZBAWCIP-UHFFFAOYSA-N
XLogP2.95
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(4-methoxybenzoyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110067196
1'-[4-(trifluoromethyl)benzoyl]spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110068864
1'-acetylspiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110067163
1'-(2,6-dimethylbenzoyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110067164
5-[(4R,5S)-4,5-dihydroxy-2-oxa-8-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8-carbonyl]-1H-pyridin-2-one
CID 155992401
1'-(3-cyclopentylpropanoyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110067180
5-[5-(pyridin-3-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 110068802
1'-(3-fluorobenzoyl)-5-propan-2-ylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 133067326
1'-(quinoline-6-carbonyl)spiro[2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-8,4'-piperidine]-7-one
CID 110064252
4-(5-methylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 110068742
5-methyl-1'-(4-methyl-3-piperidin-1-ylbenzoyl)spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 133070771
5-methyl-1'-(2-methylpropanoyl)spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 110065249

Frequently Asked Questions

What is the IUPAC name of 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one?
The IUPAC name of 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one (CID 110068883) is 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one.
What is the SMILES notation for 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one?
The canonical SMILES for 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one is O=C(c1ccc(=O)[nH]c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1.
What is the InChIKey of 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one?
The InChIKey is IXIVSNQZBAWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c27-21-9-8-19(17-25-21)22(28)26-13-11-24(12-14-26)10-4-3-6-18-5-1-2-7-20(18)30-15-16-31-23(24)29/h1-2,5,7-9,17H,3-4,6,10-16H2,(H,25,27).
What are the key properties of 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one?
1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one has a molecular weight of 424.50 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[2,5-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one is sourced from PubChem (CID 110068883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).