[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C22H25N5O2 — CID 46212820

IUPAC[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CC(Oc3cccc(C)n3)CCC2C)c1
InChIInChI=1S/C22H25N5O2/c1-15-7-10-20(27-23-11-12-24-27)19(13-15)22(28)26-14-18(9-8-17(26)3)29-21-6-4-5-16(2)25-21/h4-7,10-13,17-18H,8-9,14H2,1-3H3
InChIKeyPROIOQNXYLRCTR-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.35
Rot. Bonds4

About [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 46212820) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID46212820
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CC(Oc3cccc(C)n3)CCC2C)c1
InChIInChI=1S/C22H25N5O2/c1-15-7-10-20(27-23-11-12-24-27)19(13-15)22(28)26-14-18(9-8-17(26)3)29-21-6-4-5-16(2)25-21/h4-7,10-13,17-18H,8-9,14H2,1-3H3
InChIKeyPROIOQNXYLRCTR-UHFFFAOYSA-N
XLogP3.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
[(2R,5R)-2-methyl-5-(pyrimidin-2-ylamino)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 140566368
[2-methyl-5-(pyrimidin-2-ylamino)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 67350558
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212053
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
[(2R,5R)-2-methyl-5-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 25125857
[(2S,5R)-5-(isoquinolin-1-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46213404
[5-[(4-amino-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123879320
[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71527495
[(2R,5R)-5-(4-chloro-1,3-benzoxazol-2-yl)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71502413
[(2R,5R)-2-methyl-5-[[4-(oxetan-3-yloxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78325001
[(2R,5R)-5-(2-bromo-3-methoxyphenoxy)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121267920

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 46212820) is [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CC(Oc3cccc(C)n3)CCC2C)c1.
What is the InChIKey of [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is PROIOQNXYLRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-7-10-20(27-23-11-12-24-27)19(13-15)22(28)26-14-18(9-8-17(26)3)29-21-6-4-5-16(2)25-21/h4-7,10-13,17-18H,8-9,14H2,1-3H3.
What are the key properties of [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46212820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).