1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C19H20ClF3N4O — CID 86648411

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(Cl)cc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H20ClF3N4O/c1-12-25-16(20)10-17(26-12)27-8-6-13(7-9-27)18(28)24-11-14-4-2-3-5-15(14)19(21,22)23/h2-5,10,13H,6-9,11H2,1H3,(H,24,28)
InChIKeyJKMUSIZAGFLYDR-UHFFFAOYSA-N
MW412.84 g/mol
LogP3.99
Rot. Bonds4

About 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 86648411) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID86648411
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(Cl)cc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H20ClF3N4O/c1-12-25-16(20)10-17(26-12)27-8-6-13(7-9-27)18(28)24-11-14-4-2-3-5-15(14)19(21,22)23/h2-5,10,13H,6-9,11H2,1H3,(H,24,28)
InChIKeyJKMUSIZAGFLYDR-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 86648411) is 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is Cc1nc(Cl)cc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JKMUSIZAGFLYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O/c1-12-25-16(20)10-17(26-12)27-8-6-13(7-9-27)18(28)24-11-14-4-2-3-5-15(14)19(21,22)23/h2-5,10,13H,6-9,11H2,1H3,(H,24,28).
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86648411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).