[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone

C17H22N4O2 — CID 146046573

IUPAC[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1onc2ncccc12)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(15-14-2-1-7-19-16(14)20-23-15)21-10-5-13(6-11-21)12-3-8-18-9-4-12/h1-2,7,12-13,18H,3-6,8-11H2
InChIKeyZKLWZOGOPKWYNL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.07
Rot. Bonds2

About [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone

[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 146046573) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
PubChem CID146046573
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1onc2ncccc12)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H22N4O2/c22-17(15-14-2-1-7-19-16(14)20-23-15)21-10-5-13(6-11-21)12-3-8-18-9-4-12/h1-2,7,12-13,18H,3-6,8-11H2
InChIKeyZKLWZOGOPKWYNL-UHFFFAOYSA-N
XLogP2.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone 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

[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 138810806
7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 138809899
1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
CID 71435116
[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 163315075
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155492449
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138810233
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154923232
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146044137

Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone (CID 146046573) is [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone is O=C(c1onc2ncccc12)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZKLWZOGOPKWYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(15-14-2-1-7-19-16(14)20-23-15)21-10-5-13(6-11-21)12-3-8-18-9-4-12/h1-2,7,12-13,18H,3-6,8-11H2.
What are the key properties of [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 146046573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).