2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H24F3N3O2 — CID 155987052

IUPAC2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)17-8-4-9-18(12-17)27-21(31)14-29-13-19(16-6-2-1-3-7-16)22(15-29)11-5-10-20(30)28-22/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,27,31)(H,28,30)/t19-,22+/m0/s1
InChIKeyFTQDPTOCLHBJDN-SIKLNZKXSA-N
MW431.46 g/mol
LogP3.78
Rot. Bonds4

About 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 155987052) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID155987052
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)17-8-4-9-18(12-17)27-21(31)14-29-13-19(16-6-2-1-3-7-16)22(15-29)11-5-10-20(30)28-22/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,27,31)(H,28,30)/t19-,22+/m0/s1
InChIKeyFTQDPTOCLHBJDN-SIKLNZKXSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide
CID 110152508
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2701790
N-[4-(dimethylamino)phenyl]-2-[(4R,5S)-4-(2-fluorophenyl)-7-oxo-2,6-diazaspiro[4.6]undecan-2-yl]acetamide
CID 92607132
N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
CID 110129742
N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
CID 92550677
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 53157447
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[(2S)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 92667324
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 155987052) is 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FTQDPTOCLHBJDN-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)17-8-4-9-18(12-17)27-21(31)14-29-13-19(16-6-2-1-3-7-16)22(15-29)11-5-10-20(30)28-22/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,27,31)(H,28,30)/t19-,22+/m0/s1.
What are the key properties of 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 431.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 155987052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).