1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide

C30H32F4N2O — CID 10229428

IUPAC1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC3(C=Cc4ccccc43)CC2)C1
InChIInChI=1S/C30H32F4N2O/c31-24-16-20(15-23(17-24)30(32,33)34)19-35-27(37)29(22-5-6-22)10-8-25(18-29)36-13-11-28(12-14-36)9-7-21-3-1-2-4-26(21)28/h1-4,7,9,15-17,22,25H,5-6,8,10-14,18-19H2,(H,35,37)
InChIKeyVBENPCJBPFKBBS-UHFFFAOYSA-N
MW512.59 g/mol
LogP6.47
Rot. Bonds5

About 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide

1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide (PubChem CID 10229428) has the molecular formula C30H32F4N2O and a molecular weight of 512.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide
PubChem CID10229428
Molecular FormulaC30H32F4N2O
Molecular Weight512.59 g/mol
Exact Mass512.25
IUPAC Name1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC3(C=Cc4ccccc43)CC2)C1
InChIInChI=1S/C30H32F4N2O/c31-24-16-20(15-23(17-24)30(32,33)34)19-35-27(37)29(22-5-6-22)10-8-25(18-29)36-13-11-28(12-14-36)9-7-21-3-1-2-4-26(21)28/h1-4,7,9,15-17,22,25H,5-6,8,10-14,18-19H2,(H,35,37)
InChIKeyVBENPCJBPFKBBS-UHFFFAOYSA-N
XLogP6.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide (CID 10229428) is 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide is O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC3(C=Cc4ccccc43)CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide?
The InChIKey is VBENPCJBPFKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F4N2O/c31-24-16-20(15-23(17-24)30(32,33)34)19-35-27(37)29(22-5-6-22)10-8-25(18-29)36-13-11-28(12-14-36)9-7-21-3-1-2-4-26(21)28/h1-4,7,9,15-17,22,25H,5-6,8,10-14,18-19H2,(H,35,37).
What are the key properties of 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide?
1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10229428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).