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

C33H32F4N2O2 — CID 70895572

IUPACN-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide
SMILESO=C(NCc1cc(CF)cc(C(F)(F)F)c1)C1(c2ccccc2)CC(N2CCC3(C=Cc4ccccc43)CC2)CO1
InChIInChI=1S/C33H32F4N2O2/c34-20-23-16-24(18-27(17-23)33(35,36)37)21-38-30(40)32(26-7-2-1-3-8-26)19-28(22-41-32)39-14-12-31(13-15-39)11-10-25-6-4-5-9-29(25)31/h1-11,16-18,28H,12-15,19-22H2,(H,38,40)
InChIKeyHGQCTFLVSBTTSU-UHFFFAOYSA-N
MW564.62 g/mol
LogP6.54
Rot. Bonds6

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

N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide (PubChem CID 70895572) has the molecular formula C33H32F4N2O2 and a molecular weight of 564.62 g/mol. Its IUPAC name is N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide
PubChem CID70895572
Molecular FormulaC33H32F4N2O2
Molecular Weight564.62 g/mol
Exact Mass564.24
IUPAC NameN-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide
SMILESO=C(NCc1cc(CF)cc(C(F)(F)F)c1)C1(c2ccccc2)CC(N2CCC3(C=Cc4ccccc43)CC2)CO1
InChIInChI=1S/C33H32F4N2O2/c34-20-23-16-24(18-27(17-23)33(35,36)37)21-38-30(40)32(26-7-2-1-3-8-26)19-28(22-41-32)39-14-12-31(13-15-39)11-10-25-6-4-5-9-29(25)31/h1-11,16-18,28H,12-15,19-22H2,(H,38,40)
InChIKeyHGQCTFLVSBTTSU-UHFFFAOYSA-N
XLogP6.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide
CID 10415155
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 58913245
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-(methylsulfanylmethyl)cyclopentane-1-carboxamide
CID 10145294
1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 59049893
2-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]cyclopropane-1-carboxylic acid
CID 59050040
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 10145483
1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 59050031
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]pyrrolidine-1-carboxamide
CID 59764733
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-pyridin-3-yl-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 58913440
3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 59049928
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?
The IUPAC name of N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide (CID 70895572) is N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide.
What is the SMILES notation for N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?
The canonical SMILES for N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide is O=C(NCc1cc(CF)cc(C(F)(F)F)c1)C1(c2ccccc2)CC(N2CCC3(C=Cc4ccccc43)CC2)CO1.
What is the InChIKey of N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?
The InChIKey is HGQCTFLVSBTTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F4N2O2/c34-20-23-16-24(18-27(17-23)33(35,36)37)21-38-30(40)32(26-7-2-1-3-8-26)19-28(22-41-32)39-14-12-31(13-15-39)11-10-25-6-4-5-9-29(25)31/h1-11,16-18,28H,12-15,19-22H2,(H,38,40).
What are the key properties of N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide?
N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide has a molecular weight of 564.62 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-4-spiro[indene-1,4'-piperidine]-1'-yloxolane-2-carboxamide is sourced from PubChem (CID 70895572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).