3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one

C16H22F3N3O — CID 126943477

IUPAC3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-9-15(23)22(11-20-14)10-12-5-7-21(8-6-12)13-3-1-2-4-13/h9,11-13H,1-8,10H2
InChIKeyAMJGPJVLFWGKHL-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.92
Rot. Bonds3

About 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943477) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943477
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-9-15(23)22(11-20-14)10-12-5-7-21(8-6-12)13-3-1-2-4-13/h9,11-13H,1-8,10H2
InChIKeyAMJGPJVLFWGKHL-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943477) is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one is O=c1cc(C(F)(F)F)ncn1CC1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is AMJGPJVLFWGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-9-15(23)22(11-20-14)10-12-5-7-21(8-6-12)13-3-1-2-4-13/h9,11-13H,1-8,10H2.
What are the key properties of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 329.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).