(3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone

C15H19F3N4O2 — CID 167472055

IUPAC(3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cn2)CC1)N1CCC(O)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)11-7-19-14(20-8-11)21-4-1-10(2-5-21)13(24)22-6-3-12(23)9-22/h7-8,10,12,23H,1-6,9H2
InChIKeyFQGJZSOMCRIVSA-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.30
Rot. Bonds2

About (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone (PubChem CID 167472055) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
PubChem CID167472055
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cn2)CC1)N1CCC(O)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)11-7-19-14(20-8-11)21-4-1-10(2-5-21)13(24)22-6-3-12(23)9-22/h7-8,10,12,23H,1-6,9H2
InChIKeyFQGJZSOMCRIVSA-UHFFFAOYSA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone (CID 167472055) is (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2ncc(C(F)(F)F)cn2)CC1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The InChIKey is FQGJZSOMCRIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)11-7-19-14(20-8-11)21-4-1-10(2-5-21)13(24)22-6-3-12(23)9-22/h7-8,10,12,23H,1-6,9H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone has a molecular weight of 344.34 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 167472055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).