[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C23H21N5O2 — CID 134153918

IUPAC[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H21N5O2/c29-23(19-8-2-4-10-21(19)28-24-13-14-25-28)27-15-5-7-18(16-27)30-22-12-11-17-6-1-3-9-20(17)26-22/h1-4,6,8-14,18H,5,7,15-16H2/t18-/m1/s1
InChIKeyPEKUPYFYZBJFLN-GOSISDBHSA-N
MW399.45 g/mol
LogP3.50
Rot. Bonds4

About [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 134153918) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID134153918
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H21N5O2/c29-23(19-8-2-4-10-21(19)28-24-13-14-25-28)27-15-5-7-18(16-27)30-22-12-11-17-6-1-3-9-20(17)26-22/h1-4,6,8-14,18H,5,7,15-16H2/t18-/m1/s1
InChIKeyPEKUPYFYZBJFLN-GOSISDBHSA-N
XLogP3.50
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992
(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 144671440
1-methyl-3-[(3S)-3-quinolin-2-yloxypyrrolidine-1-carbonyl]pyridin-2-one
CID 100739490
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 134153918) is [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is PEKUPYFYZBJFLN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(19-8-2-4-10-21(19)28-24-13-14-25-28)27-15-5-7-18(16-27)30-22-12-11-17-6-1-3-9-20(17)26-22/h1-4,6,8-14,18H,5,7,15-16H2/t18-/m1/s1.
What are the key properties of [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 399.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134153918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).