(2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

C24H23N5O2 — CID 46212539

IUPAC(2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H23N5O2/c1-17-11-12-18(31-23-10-4-8-21-19(23)7-5-13-25-21)16-28(17)24(30)20-6-2-3-9-22(20)29-26-14-15-27-29/h2-10,13-15,17-18H,11-12,16H2,1H3
InChIKeyNBHKKDNCENFLJU-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.89
Rot. Bonds4

About (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

(2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 46212539) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
PubChem CID46212539
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name(2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C24H23N5O2/c1-17-11-12-18(31-23-10-4-8-21-19(23)7-5-13-25-21)16-28(17)24(30)20-6-2-3-9-22(20)29-26-14-15-27-29/h2-10,13-15,17-18H,11-12,16H2,1H3
InChIKeyNBHKKDNCENFLJU-UHFFFAOYSA-N
XLogP3.89
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,5R)-5-isoquinolin-1-yloxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 45259003
[(2S,3R)-3-(isoquinolin-1-yloxymethyl)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 45259004
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212134
[(2R,5R)-5-(4-methoxyisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212296
[(2S,3R)-2-methyl-3-(pyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 58488153
US9546152, example 1
CID 74222158
[(2R,5R)-2-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291876
[(2R,5R)-5-[(4-iodo-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291877
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
Dihydropyrrolopyrazole, 22
CID 24776256
1-Methyl-5-(1-Methyl-3-{[4-(Quinolin-2-Yl)phenoxy]methyl}-1h-Pyrazol-4-Yl)pyridin-2(1h)-One
CID 66555959
[5-(8-Chloroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118726311

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (CID 46212539) is (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is CC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is NBHKKDNCENFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17-11-12-18(31-23-10-4-8-21-19(23)7-5-13-25-21)16-28(17)24(30)20-6-2-3-9-22(20)29-26-14-15-27-29/h2-10,13-15,17-18H,11-12,16H2,1H3.
What are the key properties of (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
(2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 413.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46212539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).