N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

C15H21F3N4O — CID 138036986

IUPACN-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1cncnc1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-21(14(23)3-2-12-8-19-11-20-9-12)13-4-6-22(7-5-13)10-15(16,17)18/h8-9,11,13H,2-7,10H2,1H3
InChIKeyGWOACGIXIYNZDY-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (PubChem CID 138036986) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
PubChem CID138036986
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1cncnc1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-21(14(23)3-2-12-8-19-11-20-9-12)13-4-6-22(7-5-13)10-15(16,17)18/h8-9,11,13H,2-7,10H2,1H3
InChIKeyGWOACGIXIYNZDY-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (CID 138036986) is N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is CN(C(=O)CCc1cncnc1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The InChIKey is GWOACGIXIYNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-21(14(23)3-2-12-8-19-11-20-9-12)13-4-6-22(7-5-13)10-15(16,17)18/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrimidin-5-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138036986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).