ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

C23H32FN3O3 — CID 59433653

IUPACethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(C)=O)c2c(F)cccc23)CC1
InChIInChI=1S/C23H32FN3O3/c1-3-30-22(29)26-11-7-18(8-12-26)15-25-13-9-23(10-14-25)16-27(17(2)28)21-19(23)5-4-6-20(21)24/h4-6,18H,3,7-16H2,1-2H3
InChIKeyMIUQJQQZAUQWIF-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.39
Rot. Bonds3

About ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 59433653) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID59433653
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Nameethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(C)=O)c2c(F)cccc23)CC1
InChIInChI=1S/C23H32FN3O3/c1-3-30-22(29)26-11-7-18(8-12-26)15-25-13-9-23(10-14-25)16-27(17(2)28)21-19(23)5-4-6-20(21)24/h4-6,18H,3,7-16H2,1-2H3
InChIKeyMIUQJQQZAUQWIF-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 59433653) is ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(C)=O)c2c(F)cccc23)CC1.
What is the InChIKey of ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is MIUQJQQZAUQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3/c1-3-30-22(29)26-11-7-18(8-12-26)15-25-13-9-23(10-14-25)16-27(17(2)28)21-19(23)5-4-6-20(21)24/h4-6,18H,3,7-16H2,1-2H3.
What are the key properties of ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 417.53 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 ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59433653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).