(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C17H23N5O3 — CID 53192131

IUPAC(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C2CCCN(C(=O)c3ccc(OC)nc3OC)C2)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-4-13-18-15(21-20-13)11-6-5-9-22(10-11)17(23)12-7-8-14(24-2)19-16(12)25-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20,21)
InChIKeyUGPVBKWOAKREOE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.80
Rot. Bonds5

About (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192131) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192131
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C2CCCN(C(=O)c3ccc(OC)nc3OC)C2)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-4-13-18-15(21-20-13)11-6-5-9-22(10-11)17(23)12-7-8-14(24-2)19-16(12)25-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20,21)
InChIKeyUGPVBKWOAKREOE-UHFFFAOYSA-N
XLogP1.80
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 53192405
(2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126439973
(2-ethoxyphenyl)-[(3S)-3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95110997
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630
[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 42422121
[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 26396060
(2,6-dimethoxy-3-pyridinyl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99991440
3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
CID 91890712
[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192150
(5-chlorothiophen-2-yl)-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 53192137
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052077

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192131) is (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCc1nc(C2CCCN(C(=O)c3ccc(OC)nc3OC)C2)n[nH]1.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is UGPVBKWOAKREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-13-18-15(21-20-13)11-6-5-9-22(10-11)17(23)12-7-8-14(24-2)19-16(12)25-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20,21).
What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).