7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one

C21H19F3N2O3 — CID 176914372

IUPAC7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C(c1cccc(O)c1)N1CCC2(CC1)CN(c1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)15-4-2-5-16(12-15)26-13-20(19(26)29)7-9-25(10-8-20)18(28)14-3-1-6-17(27)11-14/h1-6,11-12,27H,7-10,13H2
InChIKeyYUNKYDWQCXZWOQ-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.68
Rot. Bonds2

About 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one

7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 176914372) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID176914372
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C(c1cccc(O)c1)N1CCC2(CC1)CN(c1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)15-4-2-5-16(12-15)26-13-20(19(26)29)7-9-25(10-8-20)18(28)14-3-1-6-17(27)11-14/h1-6,11-12,27H,7-10,13H2
InChIKeyYUNKYDWQCXZWOQ-UHFFFAOYSA-N
XLogP3.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 68838032
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(4-hydroxy-4-methylazepan-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 107406050
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
1'-[3-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260579
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
8-(3-fluorobenzoyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 155901290
7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 161218164

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one (CID 176914372) is 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one is O=C(c1cccc(O)c1)N1CCC2(CC1)CN(c1cccc(C(F)(F)F)c1)C2=O.
What is the InChIKey of 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is YUNKYDWQCXZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c22-21(23,24)15-4-2-5-16(12-15)26-13-20(19(26)29)7-9-25(10-8-20)18(28)14-3-1-6-17(27)11-14/h1-6,11-12,27H,7-10,13H2.
What are the key properties of 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 404.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 176914372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).