propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C24H35FN4O3 — CID 11612060

IUPACpropyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1
InChIInChI=1S/C24H35FN4O3/c1-4-15-32-23(31)28-11-7-19(8-12-28)27-13-9-24(10-14-27)17-29(22(30)26(2)3)21-6-5-18(25)16-20(21)24/h5-6,16,19H,4,7-15,17H2,1-3H3
InChIKeyPVPQEIJULRYFLS-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.67
Rot. Bonds3

About propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 11612060) has the molecular formula C24H35FN4O3 and a molecular weight of 446.57 g/mol. Its IUPAC name is propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID11612060
Molecular FormulaC24H35FN4O3
Molecular Weight446.57 g/mol
Exact Mass446.27
IUPAC Namepropyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1
InChIInChI=1S/C24H35FN4O3/c1-4-15-32-23(31)28-11-7-19(8-12-28)27-13-9-24(10-14-27)17-29(22(30)26(2)3)21-6-5-18(25)16-20(21)24/h5-6,16,19H,4,7-15,17H2,1-3H3
InChIKeyPVPQEIJULRYFLS-UHFFFAOYSA-N
XLogP3.67
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 11612060) is propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1.
What is the InChIKey of propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is PVPQEIJULRYFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O3/c1-4-15-32-23(31)28-11-7-19(8-12-28)27-13-9-24(10-14-27)17-29(22(30)26(2)3)21-6-5-18(25)16-20(21)24/h5-6,16,19H,4,7-15,17H2,1-3H3.
What are the key properties of propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 446.57 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11612060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).