1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C18H19F3N4O — CID 649301

IUPAC1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-6-1-4-13(10-15)11-24-16(26)14-5-2-9-25(12-14)17-22-7-3-8-23-17/h1,3-4,6-8,10,14H,2,5,9,11-12H2,(H,24,26)
InChIKeyBJRZPNPEJRGYAK-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.03
Rot. Bonds4

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

1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 649301) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID649301
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-6-1-4-13(10-15)11-24-16(26)14-5-2-9-25(12-14)17-22-7-3-8-23-17/h1,3-4,6-8,10,14H,2,5,9,11-12H2,(H,24,26)
InChIKeyBJRZPNPEJRGYAK-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 649301) is 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BJRZPNPEJRGYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-6-1-4-13(10-15)11-24-16(26)14-5-2-9-25(12-14)17-22-7-3-8-23-17/h1,3-4,6-8,10,14H,2,5,9,11-12H2,(H,24,26).
What are the key properties of 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 649301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).