3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one

C20H23N5O — CID 53190818

IUPAC3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(Nc2cccn3ncnc23)CC1
InChIInChI=1S/C20H23N5O/c26-19(9-8-16-5-2-1-3-6-16)24-13-10-17(11-14-24)23-18-7-4-12-25-20(18)21-15-22-25/h1-7,12,15,17,23H,8-11,13-14H2
InChIKeySJABAOWHROHLSV-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.77
Rot. Bonds5

About 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one

3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 53190818) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one
PubChem CID53190818
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(Nc2cccn3ncnc23)CC1
InChIInChI=1S/C20H23N5O/c26-19(9-8-16-5-2-1-3-6-16)24-13-10-17(11-14-24)23-18-7-4-12-25-20(18)21-15-22-25/h1-7,12,15,17,23H,8-11,13-14H2
InChIKeySJABAOWHROHLSV-UHFFFAOYSA-N
XLogP2.77
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)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

1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53185557
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one (CID 53190818) is 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(Nc2cccn3ncnc23)CC1.
What is the InChIKey of 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is SJABAOWHROHLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-19(9-8-16-5-2-1-3-6-16)24-13-10-17(11-14-24)23-18-7-4-12-25-20(18)21-15-22-25/h1-7,12,15,17,23H,8-11,13-14H2.
What are the key properties of 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one?
3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 349.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53190818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).