N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C30H26F3N3O — CID 23997128

IUPACN-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC2(CCN(Cc3ccc4ccccc4c3)CC2)c2cc(F)ccc21
InChIInChI=1S/C30H26F3N3O/c31-23-8-10-28-25(16-23)30(19-36(28)29(37)34-27-9-7-24(32)17-26(27)33)11-13-35(14-12-30)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-10,15-17H,11-14,18-19H2,(H,34,37)
InChIKeyWMKVQCLKURUTNU-UHFFFAOYSA-N
MW501.55 g/mol
LogP6.84
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23997128) has the molecular formula C30H26F3N3O and a molecular weight of 501.55 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23997128
Molecular FormulaC30H26F3N3O
Molecular Weight501.55 g/mol
Exact Mass501.20
IUPAC NameN-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC2(CCN(Cc3ccc4ccccc4c3)CC2)c2cc(F)ccc21
InChIInChI=1S/C30H26F3N3O/c31-23-8-10-28-25(16-23)30(19-36(28)29(37)34-27-9-7-24(32)17-26(27)33)11-13-35(14-12-30)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-10,15-17H,11-14,18-19H2,(H,34,37)
InChIKeyWMKVQCLKURUTNU-UHFFFAOYSA-N
XLogP6.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23997128) is N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CC2(CCN(Cc3ccc4ccccc4c3)CC2)c2cc(F)ccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is WMKVQCLKURUTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O/c31-23-8-10-28-25(16-23)30(19-36(28)29(37)34-27-9-7-24(32)17-26(27)33)11-13-35(14-12-30)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-10,15-17H,11-14,18-19H2,(H,34,37).
What are the key properties of N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 501.55 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23997128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).