N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide

C28H29F2N3O2 — CID 24737430

IUPACN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2OC(F)F)CC1)N1CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C28H29F2N3O2/c29-27(30)35-26-9-5-4-8-23(26)19-32-15-13-24(14-16-32)31-28(34)33-17-12-22-18-21(10-11-25(22)33)20-6-2-1-3-7-20/h1-11,18,24,27H,12-17,19H2,(H,31,34)
InChIKeyIEEFHJFYGLJRSJ-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.69
Rot. Bonds6

About N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide

N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide (PubChem CID 24737430) has the molecular formula C28H29F2N3O2 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide
PubChem CID24737430
Molecular FormulaC28H29F2N3O2
Molecular Weight477.56 g/mol
Exact Mass477.22
IUPAC NameN-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2OC(F)F)CC1)N1CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C28H29F2N3O2/c29-27(30)35-26-9-5-4-8-23(26)19-32-15-13-24(14-16-32)31-28(34)33-17-12-22-18-21(10-11-25(22)33)20-6-2-1-3-7-20/h1-11,18,24,27H,12-17,19H2,(H,31,34)
InChIKeyIEEFHJFYGLJRSJ-UHFFFAOYSA-N
XLogP5.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide (CID 24737430) is N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide is O=C(NC1CCN(Cc2ccccc2OC(F)F)CC1)N1CCc2cc(-c3ccccc3)ccc21.
What is the InChIKey of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is IEEFHJFYGLJRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O2/c29-27(30)35-26-9-5-4-8-23(26)19-32-15-13-24(14-16-32)31-28(34)33-17-12-22-18-21(10-11-25(22)33)20-6-2-1-3-7-20/h1-11,18,24,27H,12-17,19H2,(H,31,34).
What are the key properties of N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide?
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24737430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).