N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide

C22H28F6N2O2 — CID 24956565

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C22H28F6N2O2/c1-20(4-6-30(7-5-20)14-15-2-8-32-9-3-15)19(31)29-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h10-12,15H,2-9,13-14H2,1H3,(H,29,31)
InChIKeyURGLQTLIAVUYEW-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.87
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 24956565) has the molecular formula C22H28F6N2O2 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide
PubChem CID24956565
Molecular FormulaC22H28F6N2O2
Molecular Weight466.47 g/mol
Exact Mass466.21
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C22H28F6N2O2/c1-20(4-6-30(7-5-20)14-15-2-8-32-9-3-15)19(31)29-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h10-12,15H,2-9,13-14H2,1H3,(H,29,31)
InChIKeyURGLQTLIAVUYEW-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide (CID 24956565) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide is CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is URGLQTLIAVUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F6N2O2/c1-20(4-6-30(7-5-20)14-15-2-8-32-9-3-15)19(31)29-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h10-12,15H,2-9,13-14H2,1H3,(H,29,31).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24956565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).