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

C15H21F3N4O — CID 15227525

IUPACN-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)N(C)CC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O/c1-3-13(23)21(2)10-11-5-8-22(9-6-11)12-4-7-19-14(20-12)15(16,17)18/h4,7,11H,3,5-6,8-10H2,1-2H3
InChIKeyYPYYIUIBVSZAQE-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.58
Rot. Bonds4

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

N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide (PubChem CID 15227525) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide
PubChem CID15227525
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)N(C)CC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O/c1-3-13(23)21(2)10-11-5-8-22(9-6-11)12-4-7-19-14(20-12)15(16,17)18/h4,7,11H,3,5-6,8-10H2,1-2H3
InChIKeyYPYYIUIBVSZAQE-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide (CID 15227525) is N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide is CCC(=O)N(C)CC1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide?
The InChIKey is YPYYIUIBVSZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-13(23)21(2)10-11-5-8-22(9-6-11)12-4-7-19-14(20-12)15(16,17)18/h4,7,11H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide?
N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 15227525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).