[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C21H23N5O2 — CID 130394208

IUPAC[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncccc3C)C2)c1
InChIInChI=1S/C21H23N5O2/c1-15-7-8-19(26-23-10-11-24-26)18(13-15)21(27)25-12-4-6-17(14-25)28-20-16(2)5-3-9-22-20/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3/t17-/m1/s1
InChIKeyKOPVKPMBMDCKKV-QGZVFWFLSA-N
MW377.45 g/mol
LogP2.96
Rot. Bonds4

About [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 130394208) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID130394208
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncccc3C)C2)c1
InChIInChI=1S/C21H23N5O2/c1-15-7-8-19(26-23-10-11-24-26)18(13-15)21(27)25-12-4-6-17(14-25)28-20-16(2)5-3-9-22-20/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3/t17-/m1/s1
InChIKeyKOPVKPMBMDCKKV-QGZVFWFLSA-N
XLogP2.96
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 70226915
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 134503463
[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123984776
methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610227
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
ethane;methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610226
4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503335
[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503138
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 130394208) is [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3ncccc3C)C2)c1.
What is the InChIKey of [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is KOPVKPMBMDCKKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-7-8-19(26-23-10-11-24-26)18(13-15)21(27)25-12-4-6-17(14-25)28-20-16(2)5-3-9-22-20/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 130394208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).