N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide

C22H30F3N3O — CID 24817484

IUPACN-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H30F3N3O/c23-22(24,25)20-4-2-1-3-17(20)15-27-11-9-19(10-12-27)28-13-7-16(8-14-28)21(29)26-18-5-6-18/h1-4,16,18-19H,5-15H2,(H,26,29)
InChIKeyXYXIRGGBVWYCOD-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.66
Rot. Bonds5

About N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 24817484) has the molecular formula C22H30F3N3O and a molecular weight of 409.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID24817484
Molecular FormulaC22H30F3N3O
Molecular Weight409.50 g/mol
Exact Mass409.23
IUPAC NameN-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H30F3N3O/c23-22(24,25)20-4-2-1-3-17(20)15-27-11-9-19(10-12-27)28-13-7-16(8-14-28)21(29)26-18-5-6-18/h1-4,16,18-19H,5-15H2,(H,26,29)
InChIKeyXYXIRGGBVWYCOD-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 24817484) is N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is XYXIRGGBVWYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O/c23-22(24,25)20-4-2-1-3-17(20)15-27-11-9-19(10-12-27)28-13-7-16(8-14-28)21(29)26-18-5-6-18/h1-4,16,18-19H,5-15H2,(H,26,29).
What are the key properties of N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24817484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).