[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H25N5O2 — CID 46212053

IUPAC[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc2nccc(O[C@@H]3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)C3)c2c1
InChIInChI=1S/C25H25N5O2/c1-17-7-10-22-21(15-17)24(11-12-26-22)32-19-9-8-18(2)29(16-19)25(31)20-5-3-4-6-23(20)30-27-13-14-28-30/h3-7,10-15,18-19H,8-9,16H2,1-2H3/t18-,19-/m1/s1
InChIKeyTWYXHPSXEFYLAI-RTBURBONSA-N
MW427.51 g/mol
LogP4.20
Rot. Bonds4

About [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 46212053) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID46212053
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc2nccc(O[C@@H]3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)C3)c2c1
InChIInChI=1S/C25H25N5O2/c1-17-7-10-22-21(15-17)24(11-12-26-22)32-19-9-8-18(2)29(16-19)25(31)20-5-3-4-6-23(20)30-27-13-14-28-30/h3-7,10-15,18-19H,8-9,16H2,1-2H3/t18-,19-/m1/s1
InChIKeyTWYXHPSXEFYLAI-RTBURBONSA-N
XLogP4.20
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 46212053) is [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1ccc2nccc(O[C@@H]3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)C3)c2c1.
What is the InChIKey of [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is TWYXHPSXEFYLAI-RTBURBONSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-7-10-22-21(15-17)24(11-12-26-22)32-19-9-8-18(2)29(16-19)25(31)20-5-3-4-6-23(20)30-27-13-14-28-30/h3-7,10-15,18-19H,8-9,16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 427.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46212053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).