propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate

C25H37N5O3 — CID 163470475

IUPACpropyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate
SMILESCCCOC(=O)N1CCC2(C1)NC2CN1CCC2(CC1)CN(C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C25H37N5O3/c1-4-15-33-23(32)29-14-11-25(18-29)21(26-25)16-28-12-9-24(10-13-28)17-30(22(31)27(2)3)20-8-6-5-7-19(20)24/h5-8,21,26H,4,9-18H2,1-3H3
InChIKeyBWDHNNWYPLEADH-UHFFFAOYSA-N
MW455.60 g/mol
LogP2.48
Rot. Bonds4

About propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate

propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate (PubChem CID 163470475) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate.

Molecular Properties

Compound Namepropyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate
PubChem CID163470475
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Namepropyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate
SMILESCCCOC(=O)N1CCC2(C1)NC2CN1CCC2(CC1)CN(C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C25H37N5O3/c1-4-15-33-23(32)29-14-11-25(18-29)21(26-25)16-28-12-9-24(10-13-28)17-30(22(31)27(2)3)20-8-6-5-7-19(20)24/h5-8,21,26H,4,9-18H2,1-3H3
InChIKeyBWDHNNWYPLEADH-UHFFFAOYSA-N
XLogP2.48
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate?
The IUPAC name of propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate (CID 163470475) is propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate.
What is the SMILES notation for propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate?
The canonical SMILES for propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate is CCCOC(=O)N1CCC2(C1)NC2CN1CCC2(CC1)CN(C(=O)N(C)C)c1ccccc12.
What is the InChIKey of propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate?
The InChIKey is BWDHNNWYPLEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-4-15-33-23(32)29-14-11-25(18-29)21(26-25)16-28-12-9-24(10-13-28)17-30(22(31)27(2)3)20-8-6-5-7-19(20)24/h5-8,21,26H,4,9-18H2,1-3H3.
What are the key properties of propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate?
propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate has a molecular weight of 455.60 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]-1,6-diazaspiro[2.4]heptane-6-carboxylate is sourced from PubChem (CID 163470475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).