N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide

C30H27N3O2 — CID 15293899

IUPACN-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C30H27N3O2/c34-28(33-17-14-30(15-18-33)13-11-22-3-1-2-4-26(22)30)19-21-5-8-25(9-6-21)32-29(35)24-7-10-27-23(20-24)12-16-31-27/h1-13,16,20,31H,14-15,17-19H2,(H,32,35)
InChIKeyHYFJIRWYCHFTGZ-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.55
Rot. Bonds4

About N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide

N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide (PubChem CID 15293899) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide
PubChem CID15293899
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC NameN-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C30H27N3O2/c34-28(33-17-14-30(15-18-33)13-11-22-3-1-2-4-26(22)30)19-21-5-8-25(9-6-21)32-29(35)24-7-10-27-23(20-24)12-16-31-27/h1-13,16,20,31H,14-15,17-19H2,(H,32,35)
InChIKeyHYFJIRWYCHFTGZ-UHFFFAOYSA-N
XLogP5.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide (CID 15293899) is N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide is O=C(Nc1ccc(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide?
The InChIKey is HYFJIRWYCHFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c34-28(33-17-14-30(15-18-33)13-11-22-3-1-2-4-26(22)30)19-21-5-8-25(9-6-21)32-29(35)24-7-10-27-23(20-24)12-16-31-27/h1-13,16,20,31H,14-15,17-19H2,(H,32,35).
What are the key properties of N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide?
N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 15293899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).