2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide

C25H31F2N3O2 — CID 58948254

IUPAC2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)CN(C)c1ccc(F)cc12
InChIInChI=1S/C25H31F2N3O2/c1-28(2)24(32)18(12-17-13-20(31)5-6-22(17)27)15-30-10-8-25(9-11-30)16-29(3)23-7-4-19(26)14-21(23)25/h4-7,13-14,18,31H,8-12,15-16H2,1-3H3
InChIKeyDUSKYGSFKPHVPN-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.40
Rot. Bonds5

About 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide

2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide (PubChem CID 58948254) has the molecular formula C25H31F2N3O2 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
PubChem CID58948254
Molecular FormulaC25H31F2N3O2
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)CN(C)c1ccc(F)cc12
InChIInChI=1S/C25H31F2N3O2/c1-28(2)24(32)18(12-17-13-20(31)5-6-22(17)27)15-30-10-8-25(9-11-30)16-29(3)23-7-4-19(26)14-21(23)25/h4-7,13-14,18,31H,8-12,15-16H2,1-3H3
InChIKeyDUSKYGSFKPHVPN-UHFFFAOYSA-N
XLogP3.40
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide (CID 58948254) is 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide is CN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)CN(C)c1ccc(F)cc12.
What is the InChIKey of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
The InChIKey is DUSKYGSFKPHVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O2/c1-28(2)24(32)18(12-17-13-20(31)5-6-22(17)27)15-30-10-8-25(9-11-30)16-29(3)23-7-4-19(26)14-21(23)25/h4-7,13-14,18,31H,8-12,15-16H2,1-3H3.
What are the key properties of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide?
2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide has a molecular weight of 443.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 58948254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).