1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

C19H22N4O2 — CID 91914359

IUPAC1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)nn1C
InChIInChI=1S/C19H22N4O2/c1-13-12-15(20-22(13)3)17(24)23-10-8-19(9-11-23)14-6-4-5-7-16(14)21(2)18(19)25/h4-7,12H,8-11H2,1-3H3
InChIKeyCZUJTYJDXPGBBZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.88
Rot. Bonds1

About 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91914359) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91914359
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)nn1C
InChIInChI=1S/C19H22N4O2/c1-13-12-15(20-22(13)3)17(24)23-10-8-19(9-11-23)14-6-4-5-7-16(14)21(2)18(19)25/h4-7,12H,8-11H2,1-3H3
InChIKeyCZUJTYJDXPGBBZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14788250
Granisetron hydrochloride (JAN/USP)
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Brl 43694A
CID 65264
App-butinaca
CID 154735174

Frequently Asked Questions

What is the IUPAC name of 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 91914359) is 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)nn1C.
What is the InChIKey of 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is CZUJTYJDXPGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-12-15(20-22(13)3)17(24)23-10-8-19(9-11-23)14-6-4-5-7-16(14)21(2)18(19)25/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,5-dimethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91914359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).