1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one

C16H19N3O4 — CID 10881650

IUPAC1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one
SMILESCC1(C)Oc2cc3nonc3cc2C(N2CCCCC2=O)C1O
InChIInChI=1S/C16H19N3O4/c1-16(2)15(21)14(19-6-4-3-5-13(19)20)9-7-10-11(18-23-17-10)8-12(9)22-16/h7-8,14-15,21H,3-6H2,1-2H3
InChIKeyKMXPHBJUGYLXDM-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.81
Rot. Bonds1

About 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one

1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one (PubChem CID 10881650) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one
PubChem CID10881650
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one
SMILESCC1(C)Oc2cc3nonc3cc2C(N2CCCCC2=O)C1O
InChIInChI=1S/C16H19N3O4/c1-16(2)15(21)14(19-6-4-3-5-13(19)20)9-7-10-11(18-23-17-10)8-12(9)22-16/h7-8,14-15,21H,3-6H2,1-2H3
InChIKeyKMXPHBJUGYLXDM-UHFFFAOYSA-N
XLogP1.81
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Nip-121
CID 122027
1-[(7S,8R)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one
CID 14673911
2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide
CID 14673945
8-[(4-Fluorophenyl)methylamino]-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol
CID 67586487
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-5-(trifluoromethyl)pyridin-2-one
CID 67877479
(trans)-N-(7,8-Dihydro-7-hydroxy-6,6-dimethyl-6H-[1]benzopyrano[6,7-c][1,2,5]oxadiazol-8-yl)-N'-phenylurea
CID 9819971
4-Hydroxy-1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one
CID 9862447
5-chloro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)pentanamide
CID 10948199
(+)-7,8-dihydro-6,6-dimethyl-7-hydroxy-8-amino-6H-pyrano[2,3-f]benz-2,1,3-oxadiazole
CID 11107308
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-methylurea
CID 14627698
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-phenylurea
CID 14627701
7,8-dihydro-6,6-dimethyl-7-hydroxy-8-trichloroacetylureido-6H-pyrano[2,3-f]benzo-2,1,3-oxadiazole
CID 14627703

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one?
The IUPAC name of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one (CID 10881650) is 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one.
What is the SMILES notation for 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one?
The canonical SMILES for 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one is CC1(C)Oc2cc3nonc3cc2C(N2CCCCC2=O)C1O.
What is the InChIKey of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one?
The InChIKey is KMXPHBJUGYLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2)15(21)14(19-6-4-3-5-13(19)20)9-7-10-11(18-23-17-10)8-12(9)22-16/h7-8,14-15,21H,3-6H2,1-2H3.
What are the key properties of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one?
1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one has a molecular weight of 317.35 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one is sourced from PubChem (CID 10881650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).