1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide

C16H21F3N4O3 — CID 72907004

IUPAC1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H21F3N4O3/c1-10-6-12(16(17,18)19)22-13(21-10)7-20-15(25)11-4-3-5-23(8-11)14(24)9-26-2/h6,11H,3-5,7-9H2,1-2H3,(H,20,25)
InChIKeyJPTHIGDUZPTLPX-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.31
Rot. Bonds5

About 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide

1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 72907004) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
PubChem CID72907004
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H21F3N4O3/c1-10-6-12(16(17,18)19)22-13(21-10)7-20-15(25)11-4-3-5-23(8-11)14(24)9-26-2/h6,11H,3-5,7-9H2,1-2H3,(H,20,25)
InChIKeyJPTHIGDUZPTLPX-UHFFFAOYSA-N
XLogP1.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide (CID 72907004) is 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is JPTHIGDUZPTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c1-10-6-12(16(17,18)19)22-13(21-10)7-20-15(25)11-4-3-5-23(8-11)14(24)9-26-2/h6,11H,3-5,7-9H2,1-2H3,(H,20,25).
What are the key properties of 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72907004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).