1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one

C23H24N4O — CID 57385246

IUPAC1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C23H24N4O/c1-25-16-13-24-21(25)17-26-14-11-23(12-15-26)19-9-5-6-10-20(19)27(22(23)28)18-7-3-2-4-8-18/h2-10,13,16H,11-12,14-15,17H2,1H3
InChIKeyRWVOHPBNVXZGQJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.63
Rot. Bonds3

About 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one

1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 57385246) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one
PubChem CID57385246
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C23H24N4O/c1-25-16-13-24-21(25)17-26-14-11-23(12-15-26)19-9-5-6-10-20(19)27(22(23)28)18-7-3-2-4-8-18/h2-10,13,16H,11-12,14-15,17H2,1H3
InChIKeyRWVOHPBNVXZGQJ-UHFFFAOYSA-N
XLogP3.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[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'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one (CID 57385246) is 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one is Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccccc1)c1ccccc12.
What is the InChIKey of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RWVOHPBNVXZGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-25-16-13-24-21(25)17-26-14-11-23(12-15-26)19-9-5-6-10-20(19)27(22(23)28)18-7-3-2-4-8-18/h2-10,13,16H,11-12,14-15,17H2,1H3.
What are the key properties of 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one?
1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57385246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).