N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C22H23F3N4O3 — CID 46290266

IUPACN-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C22H23F3N4O3/c1-12-13(2)31-21-18(12)19(26-14(3)27-21)29-10-4-5-15(11-29)20(30)28-16-6-8-17(9-7-16)32-22(23,24)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,28,30)
InChIKeyDXHIYIFSNJKCJG-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.90
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 46290266) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID46290266
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C22H23F3N4O3/c1-12-13(2)31-21-18(12)19(26-14(3)27-21)29-10-4-5-15(11-29)20(30)28-16-6-8-17(9-7-16)32-22(23,24)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,28,30)
InChIKeyDXHIYIFSNJKCJG-UHFFFAOYSA-N
XLogP4.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 46290070
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
(3S)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866404
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866538
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290291
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290253

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 46290266) is N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(N2CCCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c2c(C)c(C)oc2n1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is DXHIYIFSNJKCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-12-13(2)31-21-18(12)19(26-14(3)27-21)29-10-4-5-15(11-29)20(30)28-16-6-8-17(9-7-16)32-22(23,24)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46290266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).