3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide

C29H36FN3O3 — CID 67108815

IUPAC3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide
SMILESO=C(NC1CCCC2(CCN(c3cccc(CCCN4CCOCC4)c3)C2=O)C1)c1cccc(F)c1
InChIInChI=1S/C29H36FN3O3/c30-24-8-2-7-23(20-24)27(34)31-25-9-3-11-29(21-25)12-14-33(28(29)35)26-10-1-5-22(19-26)6-4-13-32-15-17-36-18-16-32/h1-2,5,7-8,10,19-20,25H,3-4,6,9,11-18,21H2,(H,31,34)
InChIKeyDZUGTPWJDMXFFV-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.19
Rot. Bonds7

About 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide

3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide (PubChem CID 67108815) has the molecular formula C29H36FN3O3 and a molecular weight of 493.62 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide
PubChem CID67108815
Molecular FormulaC29H36FN3O3
Molecular Weight493.62 g/mol
Exact Mass493.27
IUPAC Name3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide
SMILESO=C(NC1CCCC2(CCN(c3cccc(CCCN4CCOCC4)c3)C2=O)C1)c1cccc(F)c1
InChIInChI=1S/C29H36FN3O3/c30-24-8-2-7-23(20-24)27(34)31-25-9-3-11-29(21-25)12-14-33(28(29)35)26-10-1-5-22(19-26)6-4-13-32-15-17-36-18-16-32/h1-2,5,7-8,10,19-20,25H,3-4,6,9,11-18,21H2,(H,31,34)
InChIKeyDZUGTPWJDMXFFV-UHFFFAOYSA-N
XLogP4.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide with MolForge

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Related Compounds

N-[(5S,7S)-2-[3-(dimethylamino)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]-3-fluorobenzamide
CID 58237136
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
3-fluoro-N-[(5S,7S)-2-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide
CID 67108472
3-fluoro-N-(1-oxo-2-propyl-2-azaspiro[4.5]decan-7-yl)benzamide
CID 67108219
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 46062378
3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
CID 163789284
N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67108524
(5S,7R,9S)-2-(3-fluorophenyl)-9-[2-(3-fluorophenyl)-2-oxoethyl]-7-hydroxy-2-azaspiro[4.5]decan-1-one
CID 58237379

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide (CID 67108815) is 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide is O=C(NC1CCCC2(CCN(c3cccc(CCCN4CCOCC4)c3)C2=O)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide?
The InChIKey is DZUGTPWJDMXFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN3O3/c30-24-8-2-7-23(20-24)27(34)31-25-9-3-11-29(21-25)12-14-33(28(29)35)26-10-1-5-22(19-26)6-4-13-32-15-17-36-18-16-32/h1-2,5,7-8,10,19-20,25H,3-4,6,9,11-18,21H2,(H,31,34).
What are the key properties of 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide?
3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide has a molecular weight of 493.62 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-(3-morpholin-4-ylpropyl)phenyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]benzamide is sourced from PubChem (CID 67108815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).