1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one

C17H18N4O3 — CID 56894304

IUPAC1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)C2(CCCN(C(=O)c3cc(=O)[nH][nH]3)C2)c2ccccc21
InChIInChI=1S/C17H18N4O3/c1-20-13-6-3-2-5-11(13)17(16(20)24)7-4-8-21(10-17)15(23)12-9-14(22)19-18-12/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,19,22)
InChIKeyQUFOPDLDQXZTAT-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one

1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one (PubChem CID 56894304) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
PubChem CID56894304
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)C2(CCCN(C(=O)c3cc(=O)[nH][nH]3)C2)c2ccccc21
InChIInChI=1S/C17H18N4O3/c1-20-13-6-3-2-5-11(13)17(16(20)24)7-4-8-21(10-17)15(23)12-9-14(22)19-18-12/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,19,22)
InChIKeyQUFOPDLDQXZTAT-UHFFFAOYSA-N
XLogP0.85
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 171906991
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274
(3S)-1-methyl-1'-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 126436971
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one (CID 56894304) is 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one is CN1C(=O)C2(CCCN(C(=O)c3cc(=O)[nH][nH]3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is QUFOPDLDQXZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-20-13-6-3-2-5-11(13)17(16(20)24)7-4-8-21(10-17)15(23)12-9-14(22)19-18-12/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,19,22).
What are the key properties of 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one has a molecular weight of 326.36 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).