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

C15H21F3N4O — CID 57068587

IUPACN-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)C1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O/c1-3-13(23)20-10(2)11-5-8-22(9-6-11)12-4-7-19-14(21-12)15(16,17)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,20,23)
InChIKeyAOUJZBSKTSXYCJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.63
Rot. Bonds4

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

N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide (PubChem CID 57068587) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide
PubChem CID57068587
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)C1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O/c1-3-13(23)20-10(2)11-5-8-22(9-6-11)12-4-7-19-14(21-12)15(16,17)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,20,23)
InChIKeyAOUJZBSKTSXYCJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide?
The IUPAC name of N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide (CID 57068587) is N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide is CCC(=O)NC(C)C1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide?
The InChIKey is AOUJZBSKTSXYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-13(23)20-10(2)11-5-8-22(9-6-11)12-4-7-19-14(21-12)15(16,17)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide?
N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide is sourced from PubChem (CID 57068587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).