propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate

C28H38FN3O3 — CID 70657741

IUPACpropan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate
SMILESCC(C)OC(=O)N1CC2CCC1CC(N1CCC3(CC1)CN(C(=O)C1CC1)c1ccc(F)cc13)C2
InChIInChI=1S/C28H38FN3O3/c1-18(2)35-27(34)31-16-19-3-7-22(31)15-23(13-19)30-11-9-28(10-12-30)17-32(26(33)20-4-5-20)25-8-6-21(29)14-24(25)28/h6,8,14,18-20,22-23H,3-5,7,9-13,15-17H2,1-2H3
InChIKeySSFOKWAXQDNFSD-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.70
Rot. Bonds3

About propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate

propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate (PubChem CID 70657741) has the molecular formula C28H38FN3O3 and a molecular weight of 483.63 g/mol. Its IUPAC name is propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate
PubChem CID70657741
Molecular FormulaC28H38FN3O3
Molecular Weight483.63 g/mol
Exact Mass483.29
IUPAC Namepropan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate
SMILESCC(C)OC(=O)N1CC2CCC1CC(N1CCC3(CC1)CN(C(=O)C1CC1)c1ccc(F)cc13)C2
InChIInChI=1S/C28H38FN3O3/c1-18(2)35-27(34)31-16-19-3-7-22(31)15-23(13-19)30-11-9-28(10-12-30)17-32(26(33)20-4-5-20)25-8-6-21(29)14-24(25)28/h6,8,14,18-20,22-23H,3-5,7,9-13,15-17H2,1-2H3
InChIKeySSFOKWAXQDNFSD-UHFFFAOYSA-N
XLogP4.70
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate?
The IUPAC name of propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate (CID 70657741) is propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate.
What is the SMILES notation for propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate?
The canonical SMILES for propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate is CC(C)OC(=O)N1CC2CCC1CC(N1CCC3(CC1)CN(C(=O)C1CC1)c1ccc(F)cc13)C2.
What is the InChIKey of propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate?
The InChIKey is SSFOKWAXQDNFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3O3/c1-18(2)35-27(34)31-16-19-3-7-22(31)15-23(13-19)30-11-9-28(10-12-30)17-32(26(33)20-4-5-20)25-8-6-21(29)14-24(25)28/h6,8,14,18-20,22-23H,3-5,7,9-13,15-17H2,1-2H3.
What are the key properties of propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate?
propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate has a molecular weight of 483.63 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate is sourced from PubChem (CID 70657741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).