(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone

C22H28N2O2 — CID 166318249

IUPAC(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone
SMILESCC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccnc3ccccc23)CC(C)(C)C1O
InChIInChI=1S/C22H28N2O2/c1-21(2)12-24(13-22(3,4)20(21)26)19(25)17-11-16(17)14-9-10-23-18-8-6-5-7-15(14)18/h5-10,16-17,20,26H,11-13H2,1-4H3/t16-,17+/m0/s1
InChIKeyDBDAYVGLHAIKSO-DLBZAZTESA-N
MW352.48 g/mol
LogP3.59
Rot. Bonds2

About (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone

(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone (PubChem CID 166318249) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone
PubChem CID166318249
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone
SMILESCC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccnc3ccccc23)CC(C)(C)C1O
InChIInChI=1S/C22H28N2O2/c1-21(2)12-24(13-22(3,4)20(21)26)19(25)17-11-16(17)14-9-10-23-18-8-6-5-7-15(14)18/h5-10,16-17,20,26H,11-13H2,1-4H3/t16-,17+/m0/s1
InChIKeyDBDAYVGLHAIKSO-DLBZAZTESA-N
XLogP3.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone 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

[3,5-bis(hydroxymethyl)piperidin-1-yl]-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone
CID 154847711
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
CID 142355386
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
(4-methyl-1,4-diazepan-1-yl)-[(1R,2R)-2-naphthalen-1-ylcyclopropyl]methanone
CID 166287115
4-cyclopentylquinoline
CID 57273226
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120814867
4-(2-ethylpyrrolidin-3-yl)quinoline
CID 63868928
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone?
The IUPAC name of (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone (CID 166318249) is (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone.
What is the SMILES notation for (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone?
The canonical SMILES for (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone is CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccnc3ccccc23)CC(C)(C)C1O.
What is the InChIKey of (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone?
The InChIKey is DBDAYVGLHAIKSO-DLBZAZTESA-N. The full InChI is InChI=1S/C22H28N2O2/c1-21(2)12-24(13-22(3,4)20(21)26)19(25)17-11-16(17)14-9-10-23-18-8-6-5-7-15(14)18/h5-10,16-17,20,26H,11-13H2,1-4H3/t16-,17+/m0/s1.
What are the key properties of (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone?
(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone is sourced from PubChem (CID 166318249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).