3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde

C20H21N3O3 — CID 154994400

IUPAC3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
SMILESO=Cc1cccc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C20H21N3O3/c24-14-15-5-4-6-17(11-15)23-9-10-26-18-12-16(13-21-19(18)23)20(25)22-7-2-1-3-8-22/h4-6,11-14H,1-3,7-10H2
InChIKeyXRSYHPOMTMGKHH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.05
Rot. Bonds3

About 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde

3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde (PubChem CID 154994400) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde.

Molecular Properties

Compound Name3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
PubChem CID154994400
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
SMILESO=Cc1cccc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C20H21N3O3/c24-14-15-5-4-6-17(11-15)23-9-10-26-18-12-16(13-21-19(18)23)20(25)22-7-2-1-3-8-22/h4-6,11-14H,1-3,7-10H2
InChIKeyXRSYHPOMTMGKHH-UHFFFAOYSA-N
XLogP3.05
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde?
The IUPAC name of 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde (CID 154994400) is 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde.
What is the SMILES notation for 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde?
The canonical SMILES for 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde is O=Cc1cccc(N2CCOc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde?
The InChIKey is XRSYHPOMTMGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-14-15-5-4-6-17(11-15)23-9-10-26-18-12-16(13-21-19(18)23)20(25)22-7-2-1-3-8-22/h4-6,11-14H,1-3,7-10H2.
What are the key properties of 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde?
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde has a molecular weight of 351.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde is sourced from PubChem (CID 154994400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).