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

C29H28N4O2 — CID 25173744

IUPAC1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(Oc3ccccc3)cc1)c1ccccc12
InChIInChI=1S/C29H28N4O2/c1-31-20-17-30-27(31)21-32-18-15-29(16-19-32)25-9-5-6-10-26(25)33(28(29)34)22-11-13-24(14-12-22)35-23-7-3-2-4-8-23/h2-14,17,20H,15-16,18-19,21H2,1H3
InChIKeySERGWFODQGREEY-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.42
Rot. Bonds5

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

1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 25173744) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID25173744
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(Oc3ccccc3)cc1)c1ccccc12
InChIInChI=1S/C29H28N4O2/c1-31-20-17-30-27(31)21-32-18-15-29(16-19-32)25-9-5-6-10-26(25)33(28(29)34)22-11-13-24(14-12-22)35-23-7-3-2-4-8-23/h2-14,17,20H,15-16,18-19,21H2,1H3
InChIKeySERGWFODQGREEY-UHFFFAOYSA-N
XLogP5.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one (CID 25173744) is 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one is Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(Oc3ccccc3)cc1)c1ccccc12.
What is the InChIKey of 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SERGWFODQGREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-31-20-17-30-27(31)21-32-18-15-29(16-19-32)25-9-5-6-10-26(25)33(28(29)34)22-11-13-24(14-12-22)35-23-7-3-2-4-8-23/h2-14,17,20H,15-16,18-19,21H2,1H3.
What are the key properties of 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one?
1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 464.57 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylimidazol-2-yl)methyl]-1-(4-phenoxyphenyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25173744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).