6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one

C12H16N4O2 — CID 82383496

IUPAC6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCn1c(=O)oc2ncc(C3CCCCN3N)cc21
InChIInChI=1S/C12H16N4O2/c1-15-10-6-8(7-14-11(10)18-12(15)17)9-4-2-3-5-16(9)13/h6-7,9H,2-5,13H2,1H3
InChIKeyJPOVZRFUFKAYRL-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.93
Rot. Bonds1

About 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one

6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 82383496) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID82383496
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCn1c(=O)oc2ncc(C3CCCCN3N)cc21
InChIInChI=1S/C12H16N4O2/c1-15-10-6-8(7-14-11(10)18-12(15)17)9-4-2-3-5-16(9)13/h6-7,9H,2-5,13H2,1H3
InChIKeyJPOVZRFUFKAYRL-UHFFFAOYSA-N
XLogP0.93
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(6-chloro-5-methoxy-3-pyridinyl)piperidin-1-amine
CID 141031286
(2R)-2-(5-bromo-6-chloro-3-pyridinyl)piperidin-1-amine
CID 141031211
(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)azepan-1-amine
CID 141031306
(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine
CID 141031304
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024
[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
CID 115043434
2-pyridin-3-ylpiperidin-1-amine
CID 5026347
2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine
CID 82400074
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
5-(1-butylpiperidin-2-yl)-3-methylpyridin-2-amine
CID 102542773
1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
CID 110775565

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 82383496) is 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one is Cn1c(=O)oc2ncc(C3CCCCN3N)cc21.
What is the InChIKey of 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is JPOVZRFUFKAYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15-10-6-8(7-14-11(10)18-12(15)17)9-4-2-3-5-16(9)13/h6-7,9H,2-5,13H2,1H3.
What are the key properties of 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 82383496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).