N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide

C20H24F3N3O3 — CID 91251044

IUPACN-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide
SMILESO=C(NO)C1CC2(CCC1C(=O)N1CCC(c3ccc(C(F)(F)F)cc3)C1)CN2
InChIInChI=1S/C20H24F3N3O3/c21-20(22,23)14-3-1-12(2-4-14)13-6-8-26(10-13)18(28)15-5-7-19(11-24-19)9-16(15)17(27)25-29/h1-4,13,15-16,24,29H,5-11H2,(H,25,27)
InChIKeyAUWRVYCSCPBQJK-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.29
Rot. Bonds3

About N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide

N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide (PubChem CID 91251044) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide
PubChem CID91251044
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC NameN-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide
SMILESO=C(NO)C1CC2(CCC1C(=O)N1CCC(c3ccc(C(F)(F)F)cc3)C1)CN2
InChIInChI=1S/C20H24F3N3O3/c21-20(22,23)14-3-1-12(2-4-14)13-6-8-26(10-13)18(28)15-5-7-19(11-24-19)9-16(15)17(27)25-29/h1-4,13,15-16,24,29H,5-11H2,(H,25,27)
InChIKeyAUWRVYCSCPBQJK-UHFFFAOYSA-N
XLogP2.29
TPSA91.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide 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

(6S)-N-hydroxy-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]spiro[2.5]octane-7-carboxamide
CID 87234865
N-hydroxy-6-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234655
(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 120955413
(1S,2S,5R)-N-hydroxy-5-(methanesulfonamido)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
CID 87349129
7-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-5-carboxylic acid
CID 118536371
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
CID 154839225
[(3S)-3-aminopyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124702790
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698676
(3R,4S)-1-(N-cyano-C-thiomorpholin-4-ylcarbonimidoyl)-N-hydroxy-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
CID 87348985
1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 87928721
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide?
The IUPAC name of N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide (CID 91251044) is N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide.
What is the SMILES notation for N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide?
The canonical SMILES for N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide is O=C(NO)C1CC2(CCC1C(=O)N1CCC(c3ccc(C(F)(F)F)cc3)C1)CN2.
What is the InChIKey of N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide?
The InChIKey is AUWRVYCSCPBQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c21-20(22,23)14-3-1-12(2-4-14)13-6-8-26(10-13)18(28)15-5-7-19(11-24-19)9-16(15)17(27)25-29/h1-4,13,15-16,24,29H,5-11H2,(H,25,27).
What are the key properties of N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide?
N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1-azaspiro[2.5]octane-5-carboxamide is sourced from PubChem (CID 91251044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).