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

C22H30FN3O3 — CID 59433244

IUPACpropyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)C1
InChIInChI=1S/C22H30FN3O3/c1-3-12-29-21(28)25-9-6-18(14-25)24-10-7-22(8-11-24)15-26(16(2)27)20-5-4-17(23)13-19(20)22/h4-5,13,18H,3,6-12,14-15H2,1-2H3
InChIKeyIVJWIVYMQZPXLU-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.15
Rot. Bonds3

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

propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate (PubChem CID 59433244) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate
PubChem CID59433244
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Namepropyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)C1
InChIInChI=1S/C22H30FN3O3/c1-3-12-29-21(28)25-9-6-18(14-25)24-10-7-22(8-11-24)15-26(16(2)27)20-5-4-17(23)13-19(20)22/h4-5,13,18H,3,6-12,14-15H2,1-2H3
InChIKeyIVJWIVYMQZPXLU-UHFFFAOYSA-N
XLogP3.15
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate?
The IUPAC name of propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate (CID 59433244) is propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate is CCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)C1.
What is the InChIKey of propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate?
The InChIKey is IVJWIVYMQZPXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-3-12-29-21(28)25-9-6-18(14-25)24-10-7-22(8-11-24)15-26(16(2)27)20-5-4-17(23)13-19(20)22/h4-5,13,18H,3,6-12,14-15H2,1-2H3.
What are the key properties of propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate?
propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate has a molecular weight of 403.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59433244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).