3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C26H31FN2O2 — CID 42369508

IUPAC3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESC/C=C(\C)CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccc(F)c1)[C@@H]2OC
InChIInChI=1S/C26H31FN2O2/c1-4-18(2)17-29-14-12-26(13-15-29)22-11-6-5-10-21(22)23(24(26)31-3)28-25(30)19-8-7-9-20(27)16-19/h4-11,16,23-24H,12-15,17H2,1-3H3,(H,28,30)/b18-4+/t23-,24+/m1/s1
InChIKeyPPECFEBJECAIDO-AMMRNTOFSA-N
MW422.54 g/mol
LogP4.63
Rot. Bonds5

About 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 42369508) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID42369508
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESC/C=C(\C)CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccc(F)c1)[C@@H]2OC
InChIInChI=1S/C26H31FN2O2/c1-4-18(2)17-29-14-12-26(13-15-29)22-11-6-5-10-21(22)23(24(26)31-3)28-25(30)19-8-7-9-20(27)16-19/h4-11,16,23-24H,12-15,17H2,1-3H3,(H,28,30)/b18-4+/t23-,24+/m1/s1
InChIKeyPPECFEBJECAIDO-AMMRNTOFSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide 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 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 42369508) is 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is C/C=C(\C)CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccc(F)c1)[C@@H]2OC.
What is the InChIKey of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is PPECFEBJECAIDO-AMMRNTOFSA-N. The full InChI is InChI=1S/C26H31FN2O2/c1-4-18(2)17-29-14-12-26(13-15-29)22-11-6-5-10-21(22)23(24(26)31-3)28-25(30)19-8-7-9-20(27)16-19/h4-11,16,23-24H,12-15,17H2,1-3H3,(H,28,30)/b18-4+/t23-,24+/m1/s1.
What are the key properties of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 422.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R,2R)-2-methoxy-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 42369508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).