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

C23H32FN3O3 — CID 11567906

IUPACpropyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)CC1
InChIInChI=1S/C23H32FN3O3/c1-3-14-30-22(29)26-10-6-19(7-11-26)25-12-8-23(9-13-25)16-27(17(2)28)21-5-4-18(24)15-20(21)23/h4-5,15,19H,3,6-14,16H2,1-2H3
InChIKeyQFPXGJDLISLESM-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.54
Rot. Bonds3

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

propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 11567906) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID11567906
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Namepropyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)CC1
InChIInChI=1S/C23H32FN3O3/c1-3-14-30-22(29)26-10-6-19(7-11-26)25-12-8-23(9-13-25)16-27(17(2)28)21-5-4-18(24)15-20(21)23/h4-5,15,19H,3,6-14,16H2,1-2H3
InChIKeyQFPXGJDLISLESM-UHFFFAOYSA-N
XLogP3.54
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 11567906) is propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)CC1.
What is the InChIKey of propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is QFPXGJDLISLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3/c1-3-14-30-22(29)26-10-6-19(7-11-26)25-12-8-23(9-13-25)16-27(17(2)28)21-5-4-18(24)15-20(21)23/h4-5,15,19H,3,6-14,16H2,1-2H3.
What are the key properties of propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 417.53 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11567906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).