[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C14H19F3N4O — CID 100647291

IUPAC[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-8-19-12(20-11)9-3-6-21(7-4-9)13(22)10-2-1-5-18-10/h8-10,18H,1-7H2,(H,19,20)/t10-/m1/s1
InChIKeyNKIDQSSTCQUMHX-SNVBAGLBSA-N
MW316.33 g/mol
LogP1.89
Rot. Bonds2

About [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 100647291) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID100647291
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-8-19-12(20-11)9-3-6-21(7-4-9)13(22)10-2-1-5-18-10/h8-10,18H,1-7H2,(H,19,20)/t10-/m1/s1
InChIKeyNKIDQSSTCQUMHX-SNVBAGLBSA-N
XLogP1.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 154762871
2-(1-hydroxycyclopentyl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 111540290
1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]but-2-yn-1-one
CID 125142252
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
2-amino-2-(oxan-4-yl)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 120800942
2-methyl-3-oxo-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propanoic acid
CID 122066237
1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 167890054
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192468
pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
CID 91660155
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 100647291) is [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is O=C([C@H]1CCCN1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is NKIDQSSTCQUMHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)11-8-19-12(20-11)9-3-6-21(7-4-9)13(22)10-2-1-5-18-10/h8-10,18H,1-7H2,(H,19,20)/t10-/m1/s1.
What are the key properties of [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 316.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 100647291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).