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

C23H32F2N4O3 — CID 11546880

IUPAC2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)OCCF)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H32F2N4O3/c1-26(2)21(30)29-16-23(19-15-17(25)3-4-20(19)29)7-12-27(13-8-23)18-5-10-28(11-6-18)22(31)32-14-9-24/h3-4,15,18H,5-14,16H2,1-2H3
InChIKeyJYHOWXWHPKJTLH-UHFFFAOYSA-N
MW450.53 g/mol
LogP3.23
Rot. Bonds3

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

2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 11546880) has the molecular formula C23H32F2N4O3 and a molecular weight of 450.53 g/mol. Its IUPAC name is 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID11546880
Molecular FormulaC23H32F2N4O3
Molecular Weight450.53 g/mol
Exact Mass450.24
IUPAC Name2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)OCCF)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H32F2N4O3/c1-26(2)21(30)29-16-23(19-15-17(25)3-4-20(19)29)7-12-27(13-8-23)18-5-10-28(11-6-18)22(31)32-14-9-24/h3-4,15,18H,5-14,16H2,1-2H3
InChIKeyJYHOWXWHPKJTLH-UHFFFAOYSA-N
XLogP3.23
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 11546880) is 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)OCCF)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is JYHOWXWHPKJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O3/c1-26(2)21(30)29-16-23(19-15-17(25)3-4-20(19)29)7-12-27(13-8-23)18-5-10-28(11-6-18)22(31)32-14-9-24/h3-4,15,18H,5-14,16H2,1-2H3.
What are the key properties of 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 450.53 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11546880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).