[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone

C22H24F3NO3 — CID 169189933

IUPAC[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone
SMILESCOc1cc(C(F)(F)F)ccc1-c1oc(C(=O)[C@@H]2CCCN(C3CC3)C2)cc1C
InChIInChI=1S/C22H24F3NO3/c1-13-10-19(20(27)14-4-3-9-26(12-14)16-6-7-16)29-21(13)17-8-5-15(22(23,24)25)11-18(17)28-2/h5,8,10-11,14,16H,3-4,6-7,9,12H2,1-2H3/t14-/m1/s1
InChIKeyIDIHUGFLCSXOGQ-CQSZACIVSA-N
MW407.43 g/mol
LogP5.34
Rot. Bonds5

About [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone

[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone (PubChem CID 169189933) has the molecular formula C22H24F3NO3 and a molecular weight of 407.43 g/mol. Its IUPAC name is [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone
PubChem CID169189933
Molecular FormulaC22H24F3NO3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone
SMILESCOc1cc(C(F)(F)F)ccc1-c1oc(C(=O)[C@@H]2CCCN(C3CC3)C2)cc1C
InChIInChI=1S/C22H24F3NO3/c1-13-10-19(20(27)14-4-3-9-26(12-14)16-6-7-16)29-21(13)17-8-5-15(22(23,24)25)11-18(17)28-2/h5,8,10-11,14,16H,3-4,6-7,9,12H2,1-2H3/t14-/m1/s1
InChIKeyIDIHUGFLCSXOGQ-CQSZACIVSA-N
XLogP5.34
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone with MolForge

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Related Compounds

1-azabicyclo[4.2.1]nonan-7-yl-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanol
CID 170227720
tert-butyl 3-[5-(2-methoxy-4-methylphenyl)-4-methylfuran-2-carbonyl]pyrrolidine-1-carboxylate
CID 170226476
tert-butyl 3-[hydroxy-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methyl]azepane-1-carboxylate
CID 169189980
(R)-[(3R)-1-cyclopropylpiperidin-3-yl]-[6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]methanol
CID 169066845
(S)-1-azabicyclo[2.2.2]octan-3-yl-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanol
CID 169066867
tert-butyl 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-carbonyl]-3-methylpiperidine-1-carboxylate
CID 170227598
tert-butyl (3R)-3-[hydroxy-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methyl]pyrrolidine-1-carboxylate
CID 169066791
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
ethyl 4-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45177097
tert-butyl (3R)-3-[hydroxy-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methyl]-3-methylpiperidine-1-carboxylate
CID 169066803

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone?
The IUPAC name of [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone (CID 169189933) is [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone.
What is the SMILES notation for [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone?
The canonical SMILES for [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone is COc1cc(C(F)(F)F)ccc1-c1oc(C(=O)[C@@H]2CCCN(C3CC3)C2)cc1C.
What is the InChIKey of [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone?
The InChIKey is IDIHUGFLCSXOGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24F3NO3/c1-13-10-19(20(27)14-4-3-9-26(12-14)16-6-7-16)29-21(13)17-8-5-15(22(23,24)25)11-18(17)28-2/h5,8,10-11,14,16H,3-4,6-7,9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone?
[(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone has a molecular weight of 407.43 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-cyclopropylpiperidin-3-yl]-[5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-methylfuran-2-yl]methanone is sourced from PubChem (CID 169189933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).