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

C21H23N5O2 — CID 46212746

IUPAC[(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C21H23N5O2/c1-15-6-5-11-22-20(15)28-17-10-9-16(2)25(14-17)21(27)18-7-3-4-8-19(18)26-23-12-13-24-26/h3-8,11-13,16-17H,9-10,14H2,1-2H3/t16-,17-/m1/s1
InChIKeyRFMRGEGEHMGZBG-IAGOWNOFSA-N
MW377.45 g/mol
LogP3.04
Rot. Bonds4

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

[(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 46212746) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID46212746
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C21H23N5O2/c1-15-6-5-11-22-20(15)28-17-10-9-16(2)25(14-17)21(27)18-7-3-4-8-19(18)26-23-12-13-24-26/h3-8,11-13,16-17H,9-10,14H2,1-2H3/t16-,17-/m1/s1
InChIKeyRFMRGEGEHMGZBG-IAGOWNOFSA-N
XLogP3.04
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 ≤ 53.04
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-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 46212746) is [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is RFMRGEGEHMGZBG-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-6-5-11-22-20(15)28-17-10-9-16(2)25(14-17)21(27)18-7-3-4-8-19(18)26-23-12-13-24-26/h3-8,11-13,16-17H,9-10,14H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 3.04, 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-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46212746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).