(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C22H29N3O3 — CID 24817476

IUPAC(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1
InChIInChI=1S/C22H29N3O3/c1-14-3-4-19-17(11-14)18(12-15(2)23-19)22(28)25-10-7-20(21(27)13-25)24-8-5-16(26)6-9-24/h3-4,11-12,16,20-21,26-27H,5-10,13H2,1-2H3/t20-,21-/m1/s1
InChIKeyRNWBLQXLYIBIGY-NHCUHLMSSA-N
MW383.49 g/mol
LogP1.88
Rot. Bonds2

About (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 24817476) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID24817476
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1
InChIInChI=1S/C22H29N3O3/c1-14-3-4-19-17(11-14)18(12-15(2)23-19)22(28)25-10-7-20(21(27)13-25)24-8-5-16(26)6-9-24/h3-4,11-12,16,20-21,26-27H,5-10,13H2,1-2H3/t20-,21-/m1/s1
InChIKeyRNWBLQXLYIBIGY-NHCUHLMSSA-N
XLogP1.88
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 24817476) is (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1.
What is the InChIKey of (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is RNWBLQXLYIBIGY-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-3-4-19-17(11-14)18(12-15(2)23-19)22(28)25-10-7-20(21(27)13-25)24-8-5-16(26)6-9-24/h3-4,11-12,16,20-21,26-27H,5-10,13H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 383.49 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24817476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).