pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone

C15H19F3N4O — CID 126614231

IUPACpyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCCC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)12-9-13(20-10-19-12)21-7-3-11(4-8-21)14(23)22-5-1-2-6-22/h9-11H,1-8H2
InChIKeyJVRPZCILWUCJCL-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.33
Rot. Bonds2

About pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone

pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone (PubChem CID 126614231) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone
PubChem CID126614231
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Namepyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCCC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)12-9-13(20-10-19-12)21-7-3-11(4-8-21)14(23)22-5-1-2-6-22/h9-11H,1-8H2
InChIKeyJVRPZCILWUCJCL-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bmy 21502
CID 129930
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
N-[(oxolan-2-yl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
2-[2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4-YL]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72871076
7-Isopropyl-2-[4-(trifluoromethyl)pyrimidin-2-YL]-2,7-diazaspiro[4.5]decan-6-one
CID 72871782
N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809844
4,4,4-Trifluoro-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1-piperidyl]butan-1-one
CID 137509203

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone (CID 126614231) is pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is JVRPZCILWUCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)12-9-13(20-10-19-12)21-7-3-11(4-8-21)14(23)22-5-1-2-6-22/h9-11H,1-8H2.
What are the key properties of pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 328.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 126614231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).