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

C14H21N3O2 — CID 58123107

IUPAC3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1C(C)C)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H21N3O2/c1-9(2)17-10(3)13-12(16-17)11(18)8-14(19-13)4-6-15-7-5-14/h9,15H,4-8H2,1-3H3
InChIKeyIKHVKAUFYVKESZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds1

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

3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 58123107) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID58123107
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1c2c(nn1C(C)C)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H21N3O2/c1-9(2)17-10(3)13-12(16-17)11(18)8-14(19-13)4-6-15-7-5-14/h9,15H,4-8H2,1-3H3
InChIKeyIKHVKAUFYVKESZ-UHFFFAOYSA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 58123107) is 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is Cc1c2c(nn1C(C)C)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is IKHVKAUFYVKESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)17-10(3)13-12(16-17)11(18)8-14(19-13)4-6-15-7-5-14/h9,15H,4-8H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 263.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 58123107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).