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

C19H22N4O2 — CID 110875643

IUPAC1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCn1nccc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H22N4O2/c1-3-23-16(8-11-20-23)17(24)22-12-9-19(10-13-22)14-6-4-5-7-15(14)21(2)18(19)25/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeyAVPJWWCPIZJTLF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.05
Rot. Bonds2

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

1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 110875643) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID110875643
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCCn1nccc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H22N4O2/c1-3-23-16(8-11-20-23)17(24)22-12-9-19(10-13-22)14-6-4-5-7-15(14)21(2)18(19)25/h4-8,11H,3,9-10,12-13H2,1-2H3
InChIKeyAVPJWWCPIZJTLF-UHFFFAOYSA-N
XLogP2.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 110875643) is 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is CCn1nccc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is AVPJWWCPIZJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-23-16(8-11-20-23)17(24)22-12-9-19(10-13-22)14-6-4-5-7-15(14)21(2)18(19)25/h4-8,11H,3,9-10,12-13H2,1-2H3.
What are the key properties of 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 110875643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).