N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide

C33H32F6N2O2 — CID 162581147

About N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide

N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide (PubChem CID 162581147) has the molecular formula C33H32F6N2O2 and a molecular weight of 602.62 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide
• PubChem CID: 162581147
• Molecular Formula: C33H32F6N2O2
• Molecular Weight: 602.62 g/mol
• Exact Mass: 602.24
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide
• SMILES: O=C(NCC1C=C(C(F)(F)F)C=C(C(F)(F)F)C1)C1(c2ccccc2)CC(N2CCC3(C=Cc4ccccc43)CC2)CO1
• InChI: InChI=1S/C33H32F6N2O2/c34-32(35,36)25-16-22(17-26(18-25)33(37,38)39)20-40-29(42)31(24-7-2-1-3-8-24)19-27(21-43-31)41-14-12-30(13-15-41)11-10-23-6-4-5-9-28(23)30/h1-11,16,18,22,27H,12-15,17,19-21H2,(H,40,42)
• InChIKey: VPBFYKLGDNGTMV-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.62
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide (CID 162581147) is N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide is O=C(NCC1C=C(C(F)(F)F)C=C(C(F)(F)F)C1)C1(c2ccccc2)CC(N2CCC3(C=Cc4ccccc43)CC2)CO1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?

The InChIKey is VPBFYKLGDNGTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F6N2O2/c34-32(35,36)25-16-22(17-26(18-25)33(37,38)39)20-40-29(42)31(24-7-2-1-3-8-24)19-27(21-43-31)41-14-12-30(13-15-41)11-10-23-6-4-5-9-28(23)30/h1-11,16,18,22,27H,12-15,17,19-21H2,(H,40,42).

What are the key properties of N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?

N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide has a molecular weight of 602.62 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide is sourced from PubChem (CID 162581147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).