N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide

C20H27FN4O3 — CID 176501646

IUPACN-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C20H27FN4O3/c21-16-1-3-17(4-2-16)22-19(27)25-8-6-20(15-25)5-7-24(18(20)26)10-9-23-11-13-28-14-12-23/h1-4H,5-15H2,(H,22,27)
InChIKeyGTAIPQVVSBURHZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.61
Rot. Bonds4

About N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide

N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 176501646) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID176501646
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC NameN-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C20H27FN4O3/c21-16-1-3-17(4-2-16)22-19(27)25-8-6-20(15-25)5-7-24(18(20)26)10-9-23-11-13-28-14-12-23/h1-4H,5-15H2,(H,22,27)
InChIKeyGTAIPQVVSBURHZ-UHFFFAOYSA-N
XLogP1.61
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 6459312
2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-fluorophenyl)acetamide
CID 24717211
(5R)-9-(2-methoxyacetyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3232622
(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234232
3-(1-(3-Fluorophenyl)-5-oxopyrrolidin-3-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 16808928
1-(1-(3-Fluorophenyl)-5-oxopyrrolidin-3-yl)-3-((tetrahydrofuran-2-yl)methyl)urea
CID 16819849
2-{2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl}-N-(3-fluorophenyl)acetamide
CID 16896718
1-[1-(4-Fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea
CID 18564420
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048534
N-(3-fluorophenyl)-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 53606837
1-Methyl-3-(2-morpholin-4-ylethyl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 72119005
7-Cyclohexyl-N-(2-fluorophenyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 72866796

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 176501646) is N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is GTAIPQVVSBURHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c21-16-1-3-17(4-2-16)22-19(27)25-8-6-20(15-25)5-7-24(18(20)26)10-9-23-11-13-28-14-12-23/h1-4H,5-15H2,(H,22,27).
What are the key properties of N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 176501646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).