1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

C19H24N4O2 — CID 56897986

IUPAC1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(C)(C)c1nc(CN2CCC3(CC2)C(=O)Nc2ccccc23)no1
InChIInChI=1S/C19H24N4O2/c1-18(2,3)17-21-15(22-25-17)12-23-10-8-19(9-11-23)13-6-4-5-7-14(13)20-16(19)24/h4-7H,8-12H2,1-3H3,(H,20,24)
InChIKeyXDYWENJFTTVRJP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.85
Rot. Bonds2

About 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56897986) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56897986
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(C)(C)c1nc(CN2CCC3(CC2)C(=O)Nc2ccccc23)no1
InChIInChI=1S/C19H24N4O2/c1-18(2,3)17-21-15(22-25-17)12-23-10-8-19(9-11-23)13-6-4-5-7-14(13)20-16(19)24/h4-7H,8-12H2,1-3H3,(H,20,24)
InChIKeyXDYWENJFTTVRJP-UHFFFAOYSA-N
XLogP2.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-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

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 56897986) is 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is CC(C)(C)c1nc(CN2CCC3(CC2)C(=O)Nc2ccccc23)no1.
What is the InChIKey of 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is XDYWENJFTTVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-18(2,3)17-21-15(22-25-17)12-23-10-8-19(9-11-23)13-6-4-5-7-14(13)20-16(19)24/h4-7H,8-12H2,1-3H3,(H,20,24).
What are the key properties of 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56897986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).