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

C24H36N4O3 — CID 24798473

IUPACpropan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC[C@H](CN2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)C1
InChIInChI=1S/C24H36N4O3/c1-18(2)31-23(30)27-12-9-19(16-27)15-26-13-10-24(11-14-26)17-28(22(29)25(3)4)21-8-6-5-7-20(21)24/h5-8,18-19H,9-17H2,1-4H3/t19-/m1/s1
InChIKeyHXZJEXGTWDGRMY-LJQANCHMSA-N
MW428.58 g/mol
LogP3.39
Rot. Bonds3

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

propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 24798473) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID24798473
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Namepropan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC[C@H](CN2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)C1
InChIInChI=1S/C24H36N4O3/c1-18(2)31-23(30)27-12-9-19(16-27)15-26-13-10-24(11-14-26)17-28(22(29)25(3)4)21-8-6-5-7-20(21)24/h5-8,18-19H,9-17H2,1-4H3/t19-/m1/s1
InChIKeyHXZJEXGTWDGRMY-LJQANCHMSA-N
XLogP3.39
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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 propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate (CID 24798473) is propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate is CC(C)OC(=O)N1CC[C@H](CN2CCC3(CC2)CN(C(=O)N(C)C)c2ccccc23)C1.
What is the InChIKey of propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is HXZJEXGTWDGRMY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-18(2)31-23(30)27-12-9-19(16-27)15-26-13-10-24(11-14-26)17-28(22(29)25(3)4)21-8-6-5-7-20(21)24/h5-8,18-19H,9-17H2,1-4H3/t19-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate?
propan-2-yl (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, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24798473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).