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

C15H21F3N4O — CID 15227522

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

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

N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 15227522) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
PubChem CID15227522
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
SMILESCCN(CC1CCN(c2ccnc(C(F)(F)F)n2)CC1)C(C)=O
InChIInChI=1S/C15H21F3N4O/c1-3-21(11(2)23)10-12-5-8-22(9-6-12)13-4-7-19-14(20-13)15(16,17)18/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeySHAMUCLHWZEVHM-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-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide (CID 15227522) is N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide is CCN(CC1CCN(c2ccnc(C(F)(F)F)n2)CC1)C(C)=O.
What is the InChIKey of N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SHAMUCLHWZEVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-21(11(2)23)10-12-5-8-22(9-6-12)13-4-7-19-14(20-13)15(16,17)18/h4,7,12H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
N-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide 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-ethyl-N-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 15227522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).