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

C24H34FN3O3 — CID 11517618

IUPACpropyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)CC1
InChIInChI=1S/C24H34FN3O3/c1-3-14-31-23(30)27-10-6-19(7-11-27)16-26-12-8-24(9-13-26)17-28(18(2)29)22-5-4-20(25)15-21(22)24/h4-5,15,19H,3,6-14,16-17H2,1-2H3
InChIKeyBGQOQKFXQYUXCI-UHFFFAOYSA-N
MW431.55 g/mol
LogP3.78
Rot. Bonds4

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

propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 11517618) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID11517618
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC Namepropyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(C)=O)c2ccc(F)cc23)CC1
InChIInChI=1S/C24H34FN3O3/c1-3-14-31-23(30)27-10-6-19(7-11-27)16-26-12-8-24(9-13-26)17-28(18(2)29)22-5-4-20(25)15-21(22)24/h4-5,15,19H,3,6-14,16-17H2,1-2H3
InChIKeyBGQOQKFXQYUXCI-UHFFFAOYSA-N
XLogP3.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 53.78
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)methyl]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 11517618) is propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is CCCOC(=O)N1CCC(CN2CCC3(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)methyl]piperidine-1-carboxylate?
The InChIKey is BGQOQKFXQYUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-3-14-31-23(30)27-10-6-19(7-11-27)16-26-12-8-24(9-13-26)17-28(18(2)29)22-5-4-20(25)15-21(22)24/h4-5,15,19H,3,6-14,16-17H2,1-2H3.
What are the key properties of propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 431.55 g/mol, XLogP of 3.78, 4 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)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11517618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).