3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde

C23H26N4O2 — CID 57395715

IUPAC3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde
SMILESO=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1
InChIInChI=1S/C23H26N4O2/c28-16-17-5-4-6-18(13-17)19-14-21-22(24-15-19)25-23(29-21)27-11-7-20(8-12-27)26-9-2-1-3-10-26/h4-6,13-16,20H,1-3,7-12H2
InChIKeyMMBPHWOPDATYED-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.16
Rot. Bonds4

About 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde

3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde (PubChem CID 57395715) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde
PubChem CID57395715
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde
SMILESO=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1
InChIInChI=1S/C23H26N4O2/c28-16-17-5-4-6-18(13-17)19-14-21-22(24-15-19)25-23(29-21)27-11-7-20(8-12-27)26-9-2-1-3-10-26/h4-6,13-16,20H,1-3,7-12H2
InChIKeyMMBPHWOPDATYED-UHFFFAOYSA-N
XLogP4.16
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde?
The IUPAC name of 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde (CID 57395715) is 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde.
What is the SMILES notation for 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde?
The canonical SMILES for 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde is O=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1.
What is the InChIKey of 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde?
The InChIKey is MMBPHWOPDATYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-16-17-5-4-6-18(13-17)19-14-21-22(24-15-19)25-23(29-21)27-11-7-20(8-12-27)26-9-2-1-3-10-26/h4-6,13-16,20H,1-3,7-12H2.
What are the key properties of 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde?
3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde has a molecular weight of 390.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzaldehyde is sourced from PubChem (CID 57395715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).