(3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone

C16H20N4O2 — CID 136539554

IUPAC(3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCOC1CCCN(C(=O)c2cc(C)ccc2-n2cnnc2)C1
InChIInChI=1S/C16H20N4O2/c1-12-5-6-15(20-10-17-18-11-20)14(8-12)16(21)19-7-3-4-13(9-19)22-2/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
InChIKeyWRSVWZRHDRPEAQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.83
Rot. Bonds3

About (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone

(3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 136539554) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID136539554
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCOC1CCCN(C(=O)c2cc(C)ccc2-n2cnnc2)C1
InChIInChI=1S/C16H20N4O2/c1-12-5-6-15(20-10-17-18-11-20)14(8-12)16(21)19-7-3-4-13(9-19)22-2/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
InChIKeyWRSVWZRHDRPEAQ-UHFFFAOYSA-N
XLogP1.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-methyl-1-[5-methyl-2-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxamide
CID 164636343
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
[(1R,2R,6S,7S)-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 155960637
1-[(3aR,6aS)-5-[5-methyl-2-(1,2,4-triazol-4-yl)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanone
CID 154787765
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130394208
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 70226915
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone (CID 136539554) is (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone is COC1CCCN(C(=O)c2cc(C)ccc2-n2cnnc2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is WRSVWZRHDRPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-5-6-15(20-10-17-18-11-20)14(8-12)16(21)19-7-3-4-13(9-19)22-2/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3.
What are the key properties of (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone?
(3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[5-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 136539554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).