N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide

C15H19F3N4O — CID 122245570

IUPACN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)12-8-13(20-9-19-12)22-6-4-11(5-7-22)21-14(23)10-2-1-3-10/h8-11H,1-7H2,(H,21,23)
InChIKeyDZYYVJLBFGJYNH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.38
Rot. Bonds3

About N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 122245570) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID122245570
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)12-8-13(20-9-19-12)22-6-4-11(5-7-22)21-14(23)10-2-1-3-10/h8-11H,1-7H2,(H,21,23)
InChIKeyDZYYVJLBFGJYNH-UHFFFAOYSA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
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
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 86277306
N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 2796053
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
1-(6-cyclopropylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 76146836
6-oxo-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 91631379
1-(2-Methoxyethyl)-3-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)urea
CID 91631409

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide (CID 122245570) is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCC1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is DZYYVJLBFGJYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)12-8-13(20-9-19-12)22-6-4-11(5-7-22)21-14(23)10-2-1-3-10/h8-11H,1-7H2,(H,21,23).
What are the key properties of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 122245570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).