N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide

C16H23F3N4O — CID 72848678

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C16H23F3N4O/c1-10(2)23-6-4-12(5-7-23)15(24)20-9-14-21-11(3)8-13(22-14)16(17,18)19/h8,10,12H,4-7,9H2,1-3H3,(H,20,24)
InChIKeyPNGHFFDGMOYFAS-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.54
Rot. Bonds4

About N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72848678) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72848678
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C16H23F3N4O/c1-10(2)23-6-4-12(5-7-23)15(24)20-9-14-21-11(3)8-13(22-14)16(17,18)19/h8,10,12H,4-7,9H2,1-3H3,(H,20,24)
InChIKeyPNGHFFDGMOYFAS-UHFFFAOYSA-N
XLogP2.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72848678) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1cc(C(F)(F)F)nc(CNC(=O)C2CCN(C(C)C)CC2)n1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is PNGHFFDGMOYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10(2)23-6-4-12(5-7-23)15(24)20-9-14-21-11(3)8-13(22-14)16(17,18)19/h8,10,12H,4-7,9H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72848678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).