3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

C21H24N4O2 — CID 75770583

IUPAC3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(c3nnc4ccccn34)C2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-18-10-7-16(8-11-18)9-12-20(26)24-13-4-5-17(15-24)21-23-22-19-6-2-3-14-25(19)21/h2-3,6-8,10-11,14,17H,4-5,9,12-13,15H2,1H3
InChIKeyPVSXLAHDIQGLGC-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.08
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 75770583) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
PubChem CID75770583
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(c3nnc4ccccn34)C2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-18-10-7-16(8-11-18)9-12-20(26)24-13-4-5-17(15-24)21-23-22-19-6-2-3-14-25(19)21/h2-3,6-8,10-11,14,17H,4-5,9,12-13,15H2,1H3
InChIKeyPVSXLAHDIQGLGC-UHFFFAOYSA-N
XLogP3.08
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethoxyphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51929162
3-(4-tert-butylphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51926466
2-(3-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 46534448
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
3-(1H-benzimidazol-2-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 42653271
3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 53203397
4-(2,5-dimethylpyrrol-1-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 121238837
1-(4-chlorophenyl)-4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 38172531
(3aR,7aS)-2-[3-oxo-3-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51926441
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
CID 126823598
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (CID 75770583) is 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCCC(c3nnc4ccccn34)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PVSXLAHDIQGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-18-10-7-16(8-11-18)9-12-20(26)24-13-4-5-17(15-24)21-23-22-19-6-2-3-14-25(19)21/h2-3,6-8,10-11,14,17H,4-5,9,12-13,15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 75770583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).