propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate

C24H36N4O3 — CID 24798472

IUPACpropyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CC[C@H](CN2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)C1
InChIInChI=1S/C24H36N4O3/c1-4-15-31-23(30)27-12-9-19(17-27)16-26-13-10-24(11-14-26)18-28(22(29)25(2)3)21-8-6-5-7-20(21)24/h5-8,19H,4,9-18H2,1-3H3/t19-/m1/s1
InChIKeyOPBPEJAROVCWSW-LJQANCHMSA-N
MW428.58 g/mol
LogP3.39
Rot. Bonds4

About propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate

propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 24798472) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID24798472
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Namepropyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CC[C@H](CN2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)C1
InChIInChI=1S/C24H36N4O3/c1-4-15-31-23(30)27-12-9-19(17-27)16-26-13-10-24(11-14-26)18-28(22(29)25(2)3)21-8-6-5-7-20(21)24/h5-8,19H,4,9-18H2,1-3H3/t19-/m1/s1
InChIKeyOPBPEJAROVCWSW-LJQANCHMSA-N
XLogP3.39
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate (CID 24798472) is propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate is CCCOC(=O)N1CC[C@H](CN2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)C1.
What is the InChIKey of propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is OPBPEJAROVCWSW-LJQANCHMSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-4-15-31-23(30)27-12-9-19(17-27)16-26-13-10-24(11-14-26)18-28(22(29)25(2)3)21-8-6-5-7-20(21)24/h5-8,19H,4,9-18H2,1-3H3/t19-/m1/s1.
What are the key properties of propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 428.58 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24798472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).