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

C15H21N3O3 — CID 58123088

IUPAC3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1C1CCOC1)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C15H21N3O3/c1-10-14-13(17-18(10)11-2-7-20-9-11)12(19)8-15(21-14)3-5-16-6-4-15/h11,16H,2-9H2,1H3
InChIKeyGBBUGUOGYUSJLU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds1

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

3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58123088) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58123088
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1C1CCOC1)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C15H21N3O3/c1-10-14-13(17-18(10)11-2-7-20-9-11)12(19)8-15(21-14)3-5-16-6-4-15/h11,16H,2-9H2,1H3
InChIKeyGBBUGUOGYUSJLU-UHFFFAOYSA-N
XLogP1.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58123088) is 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is Cc1c2c(nn1C1CCOC1)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is GBBUGUOGYUSJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-14-13(17-18(10)11-2-7-20-9-11)12(19)8-15(21-14)3-5-16-6-4-15/h11,16H,2-9H2,1H3.
What are the key properties of 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 291.35 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58123088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).