1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one

C20H24N4O2 — CID 97122726

IUPAC1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCC[C@@H](C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12)n1cccn1
InChIInChI=1S/C20H24N4O2/c1-3-16(24-12-6-11-21-24)18(25)23-13-9-20(10-14-23)15-7-4-5-8-17(15)22(2)19(20)26/h4-8,11-12,16H,3,9-10,13-14H2,1-2H3/t16-/m0/s1
InChIKeyCSBJSDKALQYGFJ-INIZCTEOSA-N
MW352.44 g/mol
LogP2.37
Rot. Bonds3

About 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 97122726) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID97122726
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCC[C@@H](C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12)n1cccn1
InChIInChI=1S/C20H24N4O2/c1-3-16(24-12-6-11-21-24)18(25)23-13-9-20(10-14-23)15-7-4-5-8-17(15)22(2)19(20)26/h4-8,11-12,16H,3,9-10,13-14H2,1-2H3/t16-/m0/s1
InChIKeyCSBJSDKALQYGFJ-INIZCTEOSA-N
XLogP2.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 110875643
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70720442
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 72848540
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one (CID 97122726) is 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one is CC[C@@H](C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12)n1cccn1.
What is the InChIKey of 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is CSBJSDKALQYGFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-16(24-12-6-11-21-24)18(25)23-13-9-20(10-14-23)15-7-4-5-8-17(15)22(2)19(20)26/h4-8,11-12,16H,3,9-10,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97122726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).