N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C24H28F2N2O2 — CID 42320343

IUPACN-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(F)cc3F)CC2)[C@H]1OC
InChIInChI=1S/C24H28F2N2O2/c1-3-21(29)27-22-18-6-4-5-7-19(18)24(23(22)30-2)10-12-28(13-11-24)15-16-8-9-17(25)14-20(16)26/h4-9,14,22-23H,3,10-13,15H2,1-2H3,(H,27,29)/t22-,23+/m1/s1
InChIKeyPBVFIXUYVWDFCG-PKTZIBPZSA-N
MW414.50 g/mol
LogP4.09
Rot. Bonds5

About N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 42320343) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID42320343
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC NameN-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(F)cc3F)CC2)[C@H]1OC
InChIInChI=1S/C24H28F2N2O2/c1-3-21(29)27-22-18-6-4-5-7-19(18)24(23(22)30-2)10-12-28(13-11-24)15-16-8-9-17(25)14-20(16)26/h4-9,14,22-23H,3,10-13,15H2,1-2H3,(H,27,29)/t22-,23+/m1/s1
InChIKeyPBVFIXUYVWDFCG-PKTZIBPZSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 42320343) is N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(F)cc3F)CC2)[C@H]1OC.
What is the InChIKey of N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is PBVFIXUYVWDFCG-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-3-21(29)27-22-18-6-4-5-7-19(18)24(23(22)30-2)10-12-28(13-11-24)15-16-8-9-17(25)14-20(16)26/h4-9,14,22-23H,3,10-13,15H2,1-2H3,(H,27,29)/t22-,23+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 414.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[(2,4-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 42320343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).