2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

C14H19N3O3 — CID 58123095

IUPAC2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESO=C1CC2(CCNCC2)Oc2cn(C3CCOC3)nc21
InChIInChI=1S/C14H19N3O3/c18-11-7-14(2-4-15-5-3-14)20-12-8-17(16-13(11)12)10-1-6-19-9-10/h8,10,15H,1-7,9H2
InChIKeyYBBICGSMLZIJML-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.93
Rot. Bonds1

About 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58123095) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58123095
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESO=C1CC2(CCNCC2)Oc2cn(C3CCOC3)nc21
InChIInChI=1S/C14H19N3O3/c18-11-7-14(2-4-15-5-3-14)20-12-8-17(16-13(11)12)10-1-6-19-9-10/h8,10,15H,1-7,9H2
InChIKeyYBBICGSMLZIJML-UHFFFAOYSA-N
XLogP0.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58123095) is 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is O=C1CC2(CCNCC2)Oc2cn(C3CCOC3)nc21.
What is the InChIKey of 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is YBBICGSMLZIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-11-7-14(2-4-15-5-3-14)20-12-8-17(16-13(11)12)10-1-6-19-9-10/h8,10,15H,1-7,9H2.
What are the key properties of 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 277.32 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 2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58123095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).