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

C21H25F3N4O — CID 91809932

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1)c1ccccc1
InChIInChI=1S/C21H25F3N4O/c1-3-17(15-7-5-4-6-8-15)20(29)27-16-9-11-28(12-10-16)19-13-18(21(22,23)24)25-14(2)26-19/h4-8,13,16-17H,3,9-12H2,1-2H3,(H,27,29)
InChIKeyNRSDVKLESGXWKK-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.08
Rot. Bonds5

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

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide (PubChem CID 91809932) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide
PubChem CID91809932
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1)c1ccccc1
InChIInChI=1S/C21H25F3N4O/c1-3-17(15-7-5-4-6-8-15)20(29)27-16-9-11-28(12-10-16)19-13-18(21(22,23)24)25-14(2)26-19/h4-8,13,16-17H,3,9-12H2,1-2H3,(H,27,29)
InChIKeyNRSDVKLESGXWKK-UHFFFAOYSA-N
XLogP4.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.08
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]-2-phenylbutanamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide (CID 91809932) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide is CCC(C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide?
The InChIKey is NRSDVKLESGXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c1-3-17(15-7-5-4-6-8-15)20(29)27-16-9-11-28(12-10-16)19-13-18(21(22,23)24)25-14(2)26-19/h4-8,13,16-17H,3,9-12H2,1-2H3,(H,27,29).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenylbutanamide has a molecular weight of 406.45 g/mol, XLogP of 4.08, 5 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]-2-phenylbutanamide is sourced from PubChem (CID 91809932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).