3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione

C33H36N4O3 — CID 18435783

IUPAC3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC4(CC3)C(=O)N(C)c3ccccc34)C2=O)cc1
InChIInChI=1S/C33H36N4O3/c1-23-9-13-25(14-10-23)33(26-15-11-24(2)12-16-26)30(39)37(31(40)34-33)20-6-19-36-21-17-32(18-22-36)27-7-4-5-8-28(27)35(3)29(32)38/h4-5,7-16H,6,17-22H2,1-3H3,(H,34,40)
InChIKeyPPEHXCFRMOUHLQ-UHFFFAOYSA-N
MW536.68 g/mol
LogP4.50
Rot. Bonds6

About 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione

3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 18435783) has the molecular formula C33H36N4O3 and a molecular weight of 536.68 g/mol. Its IUPAC name is 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID18435783
Molecular FormulaC33H36N4O3
Molecular Weight536.68 g/mol
Exact Mass536.28
IUPAC Name3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC4(CC3)C(=O)N(C)c3ccccc34)C2=O)cc1
InChIInChI=1S/C33H36N4O3/c1-23-9-13-25(14-10-23)33(26-15-11-24(2)12-16-26)30(39)37(31(40)34-33)20-6-19-36-21-17-32(18-22-36)27-7-4-5-8-28(27)35(3)29(32)38/h4-5,7-16H,6,17-22H2,1-3H3,(H,34,40)
InChIKeyPPEHXCFRMOUHLQ-UHFFFAOYSA-N
XLogP4.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.68
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione (CID 18435783) is 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC4(CC3)C(=O)N(C)c3ccccc34)C2=O)cc1.
What is the InChIKey of 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is PPEHXCFRMOUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O3/c1-23-9-13-25(14-10-23)33(26-15-11-24(2)12-16-26)30(39)37(31(40)34-33)20-6-19-36-21-17-32(18-22-36)27-7-4-5-8-28(27)35(3)29(32)38/h4-5,7-16H,6,17-22H2,1-3H3,(H,34,40).
What are the key properties of 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 536.68 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18435783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).