1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

C19H26N2O3 — CID 56919321

IUPAC1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)CC(O)C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H26N2O3/c1-13(2)12-16(22)17(23)21-10-8-19(9-11-21)14-6-4-5-7-15(14)20(3)18(19)24/h4-7,13,16,22H,8-12H2,1-3H3
InChIKeyPNKZLDUBHIVBJB-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.93
Rot. Bonds3

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

1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 56919321) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID56919321
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)CC(O)C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C19H26N2O3/c1-13(2)12-16(22)17(23)21-10-8-19(9-11-21)14-6-4-5-7-15(14)20(3)18(19)24/h4-7,13,16,22H,8-12H2,1-3H3
InChIKeyPNKZLDUBHIVBJB-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-[(2S)-2-pyrazol-1-ylbutanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 97122726
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
1'-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 69237539
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040

Frequently Asked Questions

What is the IUPAC name of 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 56919321) is 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is CC(C)CC(O)C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PNKZLDUBHIVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)12-16(22)17(23)21-10-8-19(9-11-21)14-6-4-5-7-15(14)20(3)18(19)24/h4-7,13,16,22H,8-12H2,1-3H3.
What are the key properties of 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56919321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).