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

C16H23F3N4O — CID 72873319

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCCN2CCCCC2)n1
InChIInChI=1S/C16H23F3N4O/c1-12-10-13(16(17,18)19)22-14(21-12)11-20-15(24)6-5-9-23-7-3-2-4-8-23/h10H,2-9,11H2,1H3,(H,20,24)
InChIKeyVRTDXCAMAHVTGX-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.69
Rot. Bonds6

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

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide (PubChem CID 72873319) 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]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide
PubChem CID72873319
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCCN2CCCCC2)n1
InChIInChI=1S/C16H23F3N4O/c1-12-10-13(16(17,18)19)22-14(21-12)11-20-15(24)6-5-9-23-7-3-2-4-8-23/h10H,2-9,11H2,1H3,(H,20,24)
InChIKeyVRTDXCAMAHVTGX-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
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-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide (CID 72873319) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CCCN2CCCCC2)n1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide?
The InChIKey is VRTDXCAMAHVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-12-10-13(16(17,18)19)22-14(21-12)11-20-15(24)6-5-9-23-7-3-2-4-8-23/h10H,2-9,11H2,1H3,(H,20,24).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-4-piperidin-1-ylbutanamide has a molecular weight of 344.38 g/mol, XLogP of 2.69, 6 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]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72873319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).