6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C20H21N3O3 — CID 138688286

IUPAC6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2N1
InChIInChI=1S/C20H21N3O3/c24-18-13-26-17-7-6-16(21-19(17)22-18)20(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,21,22,24)
InChIKeyGFBOODMHVKJIQT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.51
Rot. Bonds3

About 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 138688286) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID138688286
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2N1
InChIInChI=1S/C20H21N3O3/c24-18-13-26-17-7-6-16(21-19(17)22-18)20(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,21,22,24)
InChIKeyGFBOODMHVKJIQT-UHFFFAOYSA-N
XLogP2.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

2-(4-benzylpiperidin-1-yl)-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 69100489
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 22551370
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone
CID 110855837
6-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138688442
6-(4-benzylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 110345025
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 138688286) is 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2N1.
What is the InChIKey of 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GFBOODMHVKJIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-13-26-17-7-6-16(21-19(17)22-18)20(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,21,22,24).
What are the key properties of 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 351.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 138688286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).