3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide

C16H23F3N4O — CID 72905948

IUPAC3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCC2CCCN(C)C2)n1
InChIInChI=1S/C16H23F3N4O/c1-11-8-13(16(17,18)19)22-14(21-11)9-20-15(24)6-5-12-4-3-7-23(2)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,20,24)
InChIKeyZMAMDDMYKUPAKI-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.54
Rot. Bonds5

About 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide

3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (PubChem CID 72905948) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
PubChem CID72905948
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCC2CCCN(C)C2)n1
InChIInChI=1S/C16H23F3N4O/c1-11-8-13(16(17,18)19)22-14(21-11)9-20-15(24)6-5-12-4-3-7-23(2)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,20,24)
InChIKeyZMAMDDMYKUPAKI-UHFFFAOYSA-N
XLogP2.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (CID 72905948) is 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CCC2CCCN(C)C2)n1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is ZMAMDDMYKUPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-11-8-13(16(17,18)19)22-14(21-11)9-20-15(24)6-5-12-4-3-7-23(2)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,20,24).
What are the key properties of 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 72905948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).