8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C20H20FN3O2 — CID 131648127

IUPAC8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(C(=O)c3ccccc3F)CC2)N1
InChIInChI=1S/C20H20FN3O2/c21-17-4-2-1-3-15(17)19(26)24-11-7-20(8-12-24)16(13-18(25)23-20)14-5-9-22-10-6-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,25)
InChIKeyYKVNGBMOVGZTSC-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.50
Rot. Bonds2

About 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131648127) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131648127
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(C(=O)c3ccccc3F)CC2)N1
InChIInChI=1S/C20H20FN3O2/c21-17-4-2-1-3-15(17)19(26)24-11-7-20(8-12-24)16(13-18(25)23-20)14-5-9-22-10-6-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,25)
InChIKeyYKVNGBMOVGZTSC-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-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

4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469996
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074647
(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391832
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
4-phenyl-8-(pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155844440
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
8-(2-fluorobenzoyl)-1-pyridin-4-yl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 134792643
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 131648127) is 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccncc2)C2(CCN(C(=O)c3ccccc3F)CC2)N1.
What is the InChIKey of 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YKVNGBMOVGZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-4-2-1-3-15(17)19(26)24-11-7-20(8-12-24)16(13-18(25)23-20)14-5-9-22-10-6-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,25).
What are the key properties of 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131648127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).