2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide

C25H30FN3O3 — CID 59694077

IUPAC2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide
SMILESCN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H30FN3O3/c1-27(2)23(31)18(14-17-15-19(30)8-9-21(17)26)16-29-12-10-25(11-13-29)20-6-4-5-7-22(20)28(3)24(25)32/h4-9,15,18,30H,10-14,16H2,1-3H3
InChIKeyAPKQAIDEYZMENL-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.79
Rot. Bonds5

About 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide

2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide (PubChem CID 59694077) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide.

Molecular Properties

Compound Name2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide
PubChem CID59694077
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide
SMILESCN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H30FN3O3/c1-27(2)23(31)18(14-17-15-19(30)8-9-21(17)26)16-29-12-10-25(11-13-29)20-6-4-5-7-22(20)28(3)24(25)32/h4-9,15,18,30H,10-14,16H2,1-3H3
InChIKeyAPKQAIDEYZMENL-UHFFFAOYSA-N
XLogP2.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.79
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]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide?
The IUPAC name of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide (CID 59694077) is 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide.
What is the SMILES notation for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide?
The canonical SMILES for 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide is CN(C)C(=O)C(Cc1cc(O)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide?
The InChIKey is APKQAIDEYZMENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-27(2)23(31)18(14-17-15-19(30)8-9-21(17)26)16-29-12-10-25(11-13-29)20-6-4-5-7-22(20)28(3)24(25)32/h4-9,15,18,30H,10-14,16H2,1-3H3.
What are the key properties of 2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide?
2-[(2-fluoro-5-hydroxyphenyl)methyl]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide has a molecular weight of 439.53 g/mol, XLogP of 2.79, 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]-N,N-dimethyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanamide is sourced from PubChem (CID 59694077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).