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

C20H23F3N4O — CID 91892492

IUPAC1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N4O/c1-14-25-17(20(21,22)23)13-18(26-14)27-11-8-16(9-12-27)19(28)24-10-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,24,28)
InChIKeyGNOOPYUAQQEIHS-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.38
Rot. Bonds5

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

1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 91892492) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID91892492
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H23F3N4O/c1-14-25-17(20(21,22)23)13-18(26-14)27-11-8-16(9-12-27)19(28)24-10-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,24,28)
InChIKeyGNOOPYUAQQEIHS-UHFFFAOYSA-N
XLogP3.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 91892492) is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is GNOOPYUAQQEIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-14-25-17(20(21,22)23)13-18(26-14)27-11-8-16(9-12-27)19(28)24-10-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,24,28).
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91892492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).