2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

C16H23N3O2 — CID 58123103

IUPAC2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESO=C1CC2(CCNCC2)Oc2cn(C3CCCCC3)nc21
InChIInChI=1S/C16H23N3O2/c20-13-10-16(6-8-17-9-7-16)21-14-11-19(18-15(13)14)12-4-2-1-3-5-12/h11-12,17H,1-10H2
InChIKeyARKQYIRZMKBKHQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.48
Rot. Bonds1

About 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58123103) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58123103
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESO=C1CC2(CCNCC2)Oc2cn(C3CCCCC3)nc21
InChIInChI=1S/C16H23N3O2/c20-13-10-16(6-8-17-9-7-16)21-14-11-19(18-15(13)14)12-4-2-1-3-5-12/h11-12,17H,1-10H2
InChIKeyARKQYIRZMKBKHQ-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58123103) is 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is O=C1CC2(CCNCC2)Oc2cn(C3CCCCC3)nc21.
What is the InChIKey of 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is ARKQYIRZMKBKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-13-10-16(6-8-17-9-7-16)21-14-11-19(18-15(13)14)12-4-2-1-3-5-12/h11-12,17H,1-10H2.
What are the key properties of 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 289.38 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58123103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).