1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane

C32H39F6N3O — CID 160694398

About 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane

1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane (PubChem CID 160694398) has the molecular formula C32H39F6N3O and a molecular weight of 595.67 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane.

Molecular Properties

• Compound Name: 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane
• PubChem CID: 160694398
• Molecular Formula: C32H39F6N3O
• Molecular Weight: 595.67 g/mol
• Exact Mass: 595.30
• IUPAC Name: 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane
• SMILES: C[C@H]1CN(C2CCC(CCCN)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12.FCF
• InChI: InChI=1S/C31H37F4N3O.CH2F2/c1-21-20-38(14-12-30(21)11-7-23-5-2-3-6-27(23)30)26-8-10-29(18-26,9-4-13-36)28(39)37-19-22-15-24(31(33,34)35)17-25(32)16-22;2-1-3/h2-3,5-7,11,15-17,21,26H,4,8-10,12-14,18-20,36H2,1H3,(H,37,39);1H2/t21-,26?,29?,30-;/m0./s1
• InChIKey: RPUVSSFMKBAEJM-DDIQMFESSA-N
• XLogP: 6.93
• TPSA: 58.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.67
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane?

The IUPAC name of 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane (CID 160694398) is 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane.

What is the SMILES notation for 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane?

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

What is the InChIKey of 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane?

The InChIKey is RPUVSSFMKBAEJM-DDIQMFESSA-N. The full InChI is InChI=1S/C31H37F4N3O.CH2F2/c1-21-20-38(14-12-30(21)11-7-23-5-2-3-6-27(23)30)26-8-10-29(18-26,9-4-13-36)28(39)37-19-22-15-24(31(33,34)35)17-25(32)16-22;2-1-3/h2-3,5-7,11,15-17,21,26H,4,8-10,12-14,18-20,36H2,1H3,(H,37,39);1H2/t21-,26?,29?,30-;/m0./s1.

What are the key properties of 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane?

1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane has a molecular weight of 595.67 g/mol, XLogP of 6.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane is sourced from PubChem (CID 160694398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).