3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one

C17H25N3O2 — CID 47000546

IUPAC3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCCCC1c1cccnc1
InChIInChI=1S/C17H25N3O2/c21-17(8-12-19-10-3-4-13-22-19)20-11-2-1-7-16(20)15-6-5-9-18-14-15/h5-6,9,14,16H,1-4,7-8,10-13H2
InChIKeyBTAXBXXTRGHXEH-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.55
Rot. Bonds4

About 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one

3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 47000546) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
PubChem CID47000546
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCCCC1c1cccnc1
InChIInChI=1S/C17H25N3O2/c21-17(8-12-19-10-3-4-13-22-19)20-11-2-1-7-16(20)15-6-5-9-18-14-15/h5-6,9,14,16H,1-4,7-8,10-13H2
InChIKeyBTAXBXXTRGHXEH-UHFFFAOYSA-N
XLogP2.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 42921889
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one (CID 47000546) is 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one is O=C(CCN1CCCCO1)N1CCCCC1c1cccnc1.
What is the InChIKey of 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is BTAXBXXTRGHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(8-12-19-10-3-4-13-22-19)20-11-2-1-7-16(20)15-6-5-9-18-14-15/h5-6,9,14,16H,1-4,7-8,10-13H2.
What are the key properties of 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 303.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 47000546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).