N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide

C16H21F3N4O — CID 91892424

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1nc(N2CCC(NC(=O)C3CCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H21F3N4O/c1-10-20-13(16(17,18)19)9-14(21-10)23-7-5-12(6-8-23)22-15(24)11-3-2-4-11/h9,11-12H,2-8H2,1H3,(H,22,24)
InChIKeyIDBXTWZCHPAENJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.69
Rot. Bonds3

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 91892424) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID91892424
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1nc(N2CCC(NC(=O)C3CCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H21F3N4O/c1-10-20-13(16(17,18)19)9-14(21-10)23-7-5-12(6-8-23)22-15(24)11-3-2-4-11/h9,11-12H,2-8H2,1H3,(H,22,24)
InChIKeyIDBXTWZCHPAENJ-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide (CID 91892424) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide is Cc1nc(N2CCC(NC(=O)C3CCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is IDBXTWZCHPAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-10-20-13(16(17,18)19)9-14(21-10)23-7-5-12(6-8-23)22-15(24)11-3-2-4-11/h9,11-12H,2-8H2,1H3,(H,22,24).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 91892424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).