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

C23H21N5O2 — CID 144671440

IUPAC(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2ccnn2)c1)N1CCCC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H21N5O2/c29-23(18-6-3-7-19(15-18)28-14-12-24-26-28)27-13-4-8-20(16-27)30-22-11-10-17-5-1-2-9-21(17)25-22/h1-3,5-7,9-12,14-15,20H,4,8,13,16H2
InChIKeyASSYSUFCVLFIOX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.50
Rot. Bonds4

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

(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone (PubChem CID 144671440) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
PubChem CID144671440
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2ccnn2)c1)N1CCCC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H21N5O2/c29-23(18-6-3-7-19(15-18)28-14-12-24-26-28)27-13-4-8-20(16-27)30-22-11-10-17-5-1-2-9-21(17)25-22/h1-3,5-7,9-12,14-15,20H,4,8,13,16H2
InChIKeyASSYSUFCVLFIOX-UHFFFAOYSA-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

(3-quinolin-2-yloxyazetidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122250188
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
(4-morpholin-4-ylphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815867
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865
(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 154799180
4-(3-quinolin-2-yloxypyrrolidine-1-carbonyl)benzonitrile
CID 91815852
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 118496851
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122268198
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119

Frequently Asked Questions

What is the IUPAC name of (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
The IUPAC name of (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone (CID 144671440) is (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
The canonical SMILES for (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2ccnn2)c1)N1CCCC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
The InChIKey is ASSYSUFCVLFIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(18-6-3-7-19(15-18)28-14-12-24-26-28)27-13-4-8-20(16-27)30-22-11-10-17-5-1-2-9-21(17)25-22/h1-3,5-7,9-12,14-15,20H,4,8,13,16H2.
What are the key properties of (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-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 (3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 144671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).