N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

C28H32F2N2O — CID 10225875

About N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (PubChem CID 10225875) has the molecular formula C28H32F2N2O and a molecular weight of 450.57 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
• PubChem CID: 10225875
• Molecular Formula: C28H32F2N2O
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.25
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
• SMILES: C[C@H]1CN(C2CCC(C)(C(=O)NCc3cc(F)cc(F)c3)C2)CC[C@@]12C=Cc1ccccc12
• InChI: InChI=1S/C28H32F2N2O/c1-19-18-32(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(33)31-17-20-13-22(29)15-23(30)14-20/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,31,33)/t19-,24?,27?,28-/m0/s1
• InChIKey: GFFRSUPULNWCGW-GNOGLPQXSA-N
• XLogP: 5.45
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (CID 10225875) is N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is C[C@H]1CN(C2CCC(C)(C(=O)NCc3cc(F)cc(F)c3)C2)CC[C@@]12C=Cc1ccccc12.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The InChIKey is GFFRSUPULNWCGW-GNOGLPQXSA-N. The full InChI is InChI=1S/C28H32F2N2O/c1-19-18-32(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(33)31-17-20-13-22(29)15-23(30)14-20/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,31,33)/t19-,24?,27?,28-/m0/s1.

What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 10225875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).